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

Systemtic Name: ethyl 2-[(6-chloranyl-3-methyl-2-phenyl-quinolin-4-yl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(6-chloro-3-methyl-2-phenyl-quinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(6-chloro-3-methyl-2-phenyl-4-quinolinyl)-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-chloro-3-methyl-2-phenylquinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(6-chloro-3-methyl-2-phenyl-quinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C30H29ClN2O3S MolecularWeight: 533.08086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=C4C=C(C=CC4=NC(=C3C)C5=CC=CC=C5)Cl

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=C4C=C(C=CC4=NC(=C3C)C5=CC=CC=C5)Cl

InChI

InChI=1S/C30H29ClN2O3S/c1-4-18-11-13-21-24(15-18)37-29(26(21)30(35)36-5-2)33-28(34)25-17(3)27(19-9-7-6-8-10-19)32-23-14-12-20(31)16-22(23)25/h6-10,12,14,16,18H,4-5,11,13,15H2,1-3H3,(H,33,34)