[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 2-acetamido-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl] 2-acetamido-1,3-thiazole-4-carboxylate Openeye Name: [2-(1-methylpyrrol-2-yl)-2-oxo-ethyl] 2-acetamidothiazole-4-carboxylate CAS Name: 2-acetamido-4-thiazolecarboxylic acid [2-(1-methyl-2-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylpyrrol-2-yl)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate Traditional Name: 2-acetamidothiazole-4-carboxylic acid [2-keto-2-(1-methylpyrrol-2-yl)ethyl] ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)C(=O)OCC(=O)C2=CC=CN2C

Isomeric SMILES

CC(=O)NC1=NC(=CS1)C(=O)OCC(=O)C2=CC=CN2C

InChI

InChI=1S/C13H13N3O4S/c1-8(17)14-13-15-9(7-21-13)12(19)20-6-11(18)10-4-3-5-16(10)2/h3-5,7H,6H2,1-2H3,(H,14,15,17)