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

Systemtic Name: ethyl 3-[5-azanyl-3-oxidanylidene-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-1-yl]benzoate Openeye Name: ethyl 3-[5-amino-3-oxo-4-(4-phenylthiazol-2-yl)-2H-pyrrol-1-yl]benzoate CAS Name: 3-[5-amino-3-oxo-4-(4-phenyl-2-thiazolyl)-2H-pyrrol-1-yl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[5-amino-3-oxo-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-1-yl]benzoate Traditional Name: 3-[2-amino-4-keto-3-(4-phenylthiazol-2-yl)-2-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S/c1-2-28-22(27)15-9-6-10-16(11-15)25-12-18(26)19(20(25)23)21-24-17(13-29-21)14-7-4-3-5-8-14/h3-11,13H,2,12,23H2,1H3