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

Systemtic Name: (6S)-2-[(4-tert-butylphenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (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-carboxylate IUPAC Name: (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-carboxylate Formula: C21H24NO3S- MolecularWeight: 370.48516

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S/c1-12-5-10-15-16(11-12)26-19(17(15)20(24)25)22-18(23)13-6-8-14(9-7-13)21(2,3)4/h6-9,12H,5,10-11H2,1-4H3,(H,22,23)(H,24,25)/p-1/t12-/m0/s1