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

Systemtic Name: methyl 4-[5-azanyl-3-oxidanylidene-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[5-amino-3-oxo-4-(4-phenylthiazol-2-yl)-2H-pyrrol-1-yl]benzoate CAS Name: 4-[5-amino-3-oxo-4-(4-phenyl-2-thiazolyl)-2H-pyrrol-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-amino-3-oxo-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-1-yl]benzoate Traditional Name: 4-[2-amino-4-keto-3-(4-phenylthiazol-2-yl)-2-pyrrolin-1-yl]benzoic acid methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3S/c1-27-21(26)14-7-9-15(10-8-14)24-11-17(25)18(19(24)22)20-23-16(12-28-20)13-5-3-2-4-6-13/h2-10,12H,11,22H2,1H3