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

Systemtic Name: (6R)-6-methyl-2-(3-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6R)-6-methyl-2-(3-methylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6R)-6-methyl-2-[(3-methyl-1-oxobutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6R)-6-methyl-2-(3-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6R)-2-(isovalerylamino)-6-methyl-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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-8(2)6-12(17)16-14-13(15(18)19)10-5-4-9(3)7-11(10)20-14/h8-9H,4-7H2,1-3H3,(H,16,17)(H,18,19)/t9-/m1/s1