(6S)-6-methyl-2-[(2-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: (6S)-6-methyl-2-[(2-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6S)-6-methyl-2-[(2-methylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6S)-6-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6S)-6-methyl-2-[(2-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6S)-6-methyl-2-(o-toluoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C18H19NO3S/c1-10-7-8-13-14(9-10)23-17(15(13)18(21)22)19-16(20)12-6-4-3-5-11(12)2/h3-6,10H,7-9H2,1-2H3,(H,19,20)(H,21,22)/t10-/m0/s1