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

Systemtic Name: propan-2-yl 2-[(7-chloranyl-3,8-dimethyl-2-phenyl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C30H29ClN2O3S MolecularWeight: 533.08086

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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(C)C)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(C)C)Cl

InChI

InChI=1S/C30H29ClN2O3S/c1-16(2)36-30(35)25-20-12-8-9-13-23(20)37-29(25)33-28(34)24-18(4)26(19-10-6-5-7-11-19)32-27-17(3)22(31)15-14-21(24)27/h5-7,10-11,14-16H,8-9,12-13H2,1-4H3,(H,33,34)