propan-2-yl 2-[[2-(4-tert-butylphenyl)-6-methyl-quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[2-(4-tert-butylphenyl)-6-methyl-quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(4-tert-butylphenyl)-6-methyl-quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(4-tert-butylphenyl)-6-methyl-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(4-tert-butylphenyl)-6-methylquinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-tert-butylphenyl)-6-methyl-quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C33H36N2O3S MolecularWeight: 540.71554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C33H36N2O3S/c1-19(2)38-32(37)29-23-9-7-8-10-28(23)39-31(29)35-30(36)25-18-27(34-26-16-11-20(3)17-24(25)26)21-12-14-22(15-13-21)33(4,5)6/h11-19H,7-10H2,1-6H3,(H,35,36)