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

Systemtic Name: (6S)-6-tert-butyl-2-[(4-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6S)-6-tert-butyl-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-tert-butyl-2-[[(4-methylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6S)-6-tert-butyl-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-tert-butyl-2-(p-toluoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C21H24NO3S- MolecularWeight: 370.48516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C[C@H](CC3)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C21H25NO3S/c1-12-5-7-13(8-6-12)18(23)22-19-17(20(24)25)15-10-9-14(21(2,3)4)11-16(15)26-19/h5-8,14H,9-11H2,1-4H3,(H,22,23)(H,24,25)/p-1/t14-/m0/s1