ethyl 2-[(8-chloranyl-1-methyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(8-chloranyl-1-methyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(8-chloro-1-methyl-4-oxo-quinoline-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(8-chloro-1-methyl-4-oxo-3-quinolinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(8-chloro-1-methyl-4-oxoquinoline-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(8-chloro-4-keto-1-methyl-quinoline-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CN(C4=C(C3=O)C=CC=C4Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CN(C4=C(C3=O)C=CC=C4Cl)C

InChI

InChI=1S/C22H21ClN2O4S/c1-3-29-22(28)17-12-7-4-5-10-16(12)30-21(17)24-20(27)14-11-25(2)18-13(19(14)26)8-6-9-15(18)23/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,24,27)