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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)C[C@H](CC3)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C21H25NO3S/c1-12-7-5-6-8-14(12)18(23)22-19-17(20(24)25)15-10-9-13(21(2,3)4)11-16(15)26-19/h5-8,13H,9-11H2,1-4H3,(H,22,23)(H,24,25)/p-1/t13-/m0/s1