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

Systemtic Name: methyl 2-[(7-chloranyl-3,8-dimethyl-2-phenyl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(7-chloro-3,8-dimethyl-2-phenyl-quinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(7-chloro-3,8-dimethyl-2-phenyl-4-quinolinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(7-chloro-3,8-dimethyl-2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(7-chloro-3,8-dimethyl-2-phenyl-quinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C28H25ClN2O3S MolecularWeight: 505.0277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C(C(=C(N=C12)C3=CC=CC=C3)C)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC2=C(C(=C(N=C12)C3=CC=CC=C3)C)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC)Cl

InChI

InChI=1S/C28H25ClN2O3S/c1-15-20(29)14-13-19-22(16(2)24(30-25(15)19)17-9-5-4-6-10-17)26(32)31-27-23(28(33)34-3)18-11-7-8-12-21(18)35-27/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,31,32)