methyl (6R)-6-tert-butyl-2-[(2-phenylquinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6R)-6-tert-butyl-2-[(2-phenylquinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-6-tert-butyl-2-[(2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-tert-butyl-2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-tert-butyl-2-[(2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-tert-butyl-2-[(2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C30H30N2O3S MolecularWeight: 498.6358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C30H30N2O3S/c1-30(2,3)19-14-15-21-25(16-19)36-28(26(21)29(34)35-4)32-27(33)22-17-24(18-10-6-5-7-11-18)31-23-13-9-8-12-20(22)23/h5-13,17,19H,14-16H2,1-4H3,(H,32,33)/t19-/m1/s1