2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(2-methylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[(2-methyl-1-oxopropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(isobutyrylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O

InChI

InChI=1S/C13H17NO3S/c1-7(2)11(15)14-12-10(13(16)17)8-5-3-4-6-9(8)18-12/h7H,3-6H2,1-2H3,(H,14,15)(H,16,17)