ethyl 3-[2-(7-chloranyl-1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(7-chloranyl-1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(7-chloro-1-methyl-2-oxo-4-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(7-chloro-1-methyl-2-oxo-4-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(7-chloro-2-keto-1-methyl-4-quinolyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC(=O)N(C3=C2C=CC(=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC(=O)N(C3=C2C=CC(=C3)Cl)C

InChI

InChI=1S/C21H19ClN2O4S/c1-3-28-21(27)13-5-4-6-15(9-13)23-19(25)12-29-18-11-20(26)24(2)17-10-14(22)7-8-16(17)18/h4-11H,3,12H2,1-2H3,(H,23,25)