(phenylmethyl) (6Z)-6-[[5-[[5-[(Z)-(5-cyano-4,4,5-trimethyl-pyrrolidin-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethyl-pyrrol-2-yl]methylidene]-2,2-bis(oxidanylidene)-1,3-dihydrothieno[3,4-c]pyrrole-4-carboxylate

Systemtic Name: (phenylmethyl) (6Z)-6-[[5-[[5-[(Z)-(5-cyano-4,4,5-trimethyl-pyrrolidin-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethyl-pyrrol-2-yl]methylidene]-2,2-bis(oxidanylidene)-1,3-dihydrothieno[3,4-c]pyrrole-4-carboxylate Openeye Name: benzyl (6Z)-6-[[5-[[5-[(Z)-(5-cyano-4,4,5-trimethyl-pyrrolidin-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl]methylene]-3,4-dimethyl-pyrrol-2-yl]methylene]-2,2-dioxo-1,3-dihydrothieno[3,4-c]pyrrole-4-carboxylate CAS Name: (6Z)-6-[[5-[[5-[(Z)-(5-cyano-4,4,5-trimethyl-2-pyrrolidinylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethyl-2-pyrrolyl]methylidene]-2,2-dioxo-1,3-dihydrothieno[3,4-c]pyrrole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (6Z)-6-[[5-[[5-[(Z)-(5-cyano-4,4,5-trimethylpyrrolidin-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-yl]methylidene]-2,2-dioxo-1,3-dihydrothieno[3,4-c]pyrrole-4-carboxylate Traditional Name: (6Z)-6-[[5-[[5-[(Z)-(5-cyano-4,4,5-trimethyl-pyrrolidin-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl]methylene]-3,4-dimethyl-pyrrol-2-yl]methylene]-2,2-diketo-1,3-dihydrothieno[3,4-c]pyrrole-4-carboxylic acid benzyl ester Formula: C37H39N5O4S MolecularWeight: 649.80166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC1=CC2=C(C(=C(N2)C=C3CC(C(N3)(C)C#N)(C)C)C)C)C=C4C5=C(CS(=O)(=O)C5)C(=N4)C(=O)OCC6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C(=NC1=CC2=C(C(=C(N2)/C=C\3/CC(C(N3)(C)C#N)(C)C)C)C)/C=C\4/C5=C(CS(=O)(=O)C5)C(=N4)C(=O)OCC6=CC=CC=C6)C

InChI

InChI=1S/C37H39N5O4S/c1-21-22(2)30(39-29(21)13-26-16-36(5,6)37(7,20-38)42-26)14-31-23(3)24(4)32(40-31)15-33-27-18-47(44,45)19-28(27)34(41-33)35(43)46-17-25-11-9-8-10-12-25/h8-15,39,42H,16-19H2,1-7H3/b26-13-,31-14?,33-15-