(phenylmethyl) 5-[(Z)-(3,4-dimethyl-5-sulfanylidene-pyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-[(Z)-(3,4-dimethyl-5-sulfanylidene-pyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-[(Z)-(3,4-dimethyl-5-thioxo-pyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 5-[(Z)-(3,4-dimethyl-5-sulfanylidene-2-pyrrolylidene)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(Z)-(3,4-dimethyl-5-sulfanylidenepyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[(Z)-(3,4-dimethyl-5-thioxo-3-pyrrolin-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)NC1=CC2=C(C(=C(N2)C(=O)OCC3=CC=CC=C3)C)C)C

Isomeric SMILES

CC\1=C(C(=S)N/C1=C\C2=C(C(=C(N2)C(=O)OCC3=CC=CC=C3)C)C)C

InChI

InChI=1S/C21H22N2O2S/c1-12-14(3)19(21(24)25-11-16-8-6-5-7-9-16)22-17(12)10-18-13(2)15(4)20(26)23-18/h5-10,22H,11H2,1-4H3,(H,23,26)/b18-10-