methyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-5-keto-3-(7-methoxybenzofuran-2-carbonyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C31H24N2O8S MolecularWeight: 584.59586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=C(O4)C(=CC=C5)OC)C6=CC=C(C=C6)C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=C(O4)C(=CC=C5)OC)C6=CC=C(C=C6)C(=O)OC

InChI

InChI=1S/C31H24N2O8S/c1-4-40-19-12-13-20-23(15-19)42-31(32-20)33-25(16-8-10-17(11-9-16)30(37)39-3)24(27(35)29(33)36)26(34)22-14-18-6-5-7-21(38-2)28(18)41-22/h5-15,25,35H,4H2,1-3H3