methyl 4-[5-azanyl-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2H-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[5-azanyl-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[5-amino-4-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 4-[5-amino-4-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-3-oxo-2H-pyrrol-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-amino-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 4-[2-amino-3-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-4-keto-2-pyrrolin-1-yl]benzoic acid methyl ester Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)C4=CC=C(C=C4)C(=O)OC)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)C4=CC=C(C=C4)C(=O)OC)N)OC

InChI

InChI=1S/C23H21N3O5S/c1-29-18-9-6-14(10-19(18)30-2)16-12-32-22(25-16)20-17(27)11-26(21(20)24)15-7-4-13(5-8-15)23(28)31-3/h4-10,12H,11,24H2,1-3H3