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

Systemtic Name: methyl 4-[5-azanyl-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[5-amino-4-(4,5-dimethylthiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 4-[5-amino-4-(4,5-dimethyl-2-thiazolyl)-3-oxo-2H-pyrrol-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-amino-4-(4,5-dimethyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 4-[2-amino-3-(4,5-dimethylthiazol-2-yl)-4-keto-2-pyrrolin-1-yl]benzoic acid methyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=C(N(CC2=O)C3=CC=C(C=C3)C(=O)OC)N)C

Isomeric SMILES

CC1=C(SC(=N1)C2=C(N(CC2=O)C3=CC=C(C=C3)C(=O)OC)N)C

InChI

InChI=1S/C17H17N3O3S/c1-9-10(2)24-16(19-9)14-13(21)8-20(15(14)18)12-6-4-11(5-7-12)17(22)23-3/h4-7H,8,18H2,1-3H3