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

Systemtic Name: 2-(3-acetamidopropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(3-acetamidopropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[(3-acetamido-1-oxopropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(3-acetamidopropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(3-acetamidopropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-8(17)15-7-6-11(18)16-13-12(14(19)20)9-4-2-3-5-10(9)21-13/h2-7H2,1H3,(H,15,17)(H,16,18)(H,19,20)