methyl 4-[(3E)-3-[(4-chlorophenyl)-oxidanyl-methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-bis(oxidanylidene)pyrrolidin-2-yl]benzoate

Systemtic Name: methyl 4-[(3E)-3-[(4-chlorophenyl)-oxidanyl-methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-bis(oxidanylidene)pyrrolidin-2-yl]benzoate Openeye Name: methyl 4-[(3E)-3-[(4-chlorophenyl)-hydroxy-methylene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxo-pyrrolidin-2-yl]benzoate CAS Name: 4-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxo-2-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate Traditional Name: 4-[(3E)-3-[(4-chlorophenyl)-hydroxy-methylene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-diketo-pyrrolidin-2-yl]benzoic acid methyl ester Formula: C28H21ClN2O6S MolecularWeight: 548.99414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)Cl)O)C(=O)C3=O)C5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3C(/C(=C(/C4=CC=C(C=C4)Cl)\O)/C(=O)C3=O)C5=CC=C(C=C5)C(=O)OC

InChI

InChI=1S/C28H21ClN2O6S/c1-3-37-19-12-13-20-21(14-19)38-28(30-20)31-23(15-4-6-17(7-5-15)27(35)36-2)22(25(33)26(31)34)24(32)16-8-10-18(29)11-9-16/h4-14,23,32H,3H2,1-2H3/b24-22+