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

Systemtic Name: methyl 2-[(8-chloranyl-3-methyl-2-phenyl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(8-chloro-3-methyl-2-phenyl-quinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(8-chloro-3-methyl-2-phenyl-4-quinolinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(8-chloro-3-methyl-2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(8-chloro-3-methyl-2-phenyl-quinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H23ClN2O3S MolecularWeight: 491.00112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C(=C1C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)C=CC=C2Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C2C(=C1C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)C=CC=C2Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H23ClN2O3S/c1-15-21(18-12-8-13-19(28)24(18)29-23(15)16-9-4-3-5-10-16)25(31)30-26-22(27(32)33-2)17-11-6-7-14-20(17)34-26/h3-5,8-10,12-13H,6-7,11,14H2,1-2H3,(H,30,31)