(6S)-2-(2,2-dimethylpropanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: (6S)-2-(2,2-dimethylpropanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6S)-2-(2,2-dimethylpropanoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6S)-2-[(2,2-dimethyl-1-oxopropyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6S)-2-(2,2-dimethylpropanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6S)-6-methyl-2-(pivaloylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-8-5-6-9-10(7-8)20-12(11(9)13(17)18)16-14(19)15(2,3)4/h8H,5-7H2,1-4H3,(H,16,19)(H,17,18)/t8-/m0/s1