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

Systemtic Name: propan-2-yl (6S)-2-[(4-tert-butylphenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl (6S)-2-[(4-tert-butylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (6S)-2-[(4-tert-butylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[(4-tert-butylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO3S/c1-14(2)28-23(27)20-18-12-7-15(3)13-19(18)29-22(20)25-21(26)16-8-10-17(11-9-16)24(4,5)6/h8-11,14-15H,7,12-13H2,1-6H3,(H,25,26)/t15-/m0/s1