[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-oxo-ethyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [2-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C21H17N3O4S/c1-12-9-15(13(2)24(12)21-22-7-8-29-21)18(25)11-28-20(27)16-10-19(26)23-17-6-4-3-5-14(16)17/h3-10H,11H2,1-2H3,(H,23,26)