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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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