[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 6-chloranyl-2-methyl-quinoline-3-carboxylate

Systemtic Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 6-chloranyl-2-methyl-quinoline-3-carboxylate Openeye Name: [2-[5-(2-acetamidoethyl)-2-thienyl]-2-oxo-ethyl] 6-chloro-2-methyl-quinoline-3-carboxylate CAS Name: 6-chloro-2-methyl-3-quinolinecarboxylic acid [2-[5-(2-acetamidoethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate Traditional Name: 6-chloro-2-methyl-quinoline-3-carboxylic acid [2-[5-(2-acetamidoethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)OCC(=O)C3=CC=C(S3)CCNC(=O)C

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)OCC(=O)C3=CC=C(S3)CCNC(=O)C

InChI

InChI=1S/C21H19ClN2O4S/c1-12-17(10-14-9-15(22)3-5-18(14)24-12)21(27)28-11-19(26)20-6-4-16(29-20)7-8-23-13(2)25/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,25)