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

Systemtic Name: 2-(2-phenylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[(1-oxo-2-phenylethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H17NO3S/c19-14(10-11-6-2-1-3-7-11)18-16-15(17(20)21)12-8-4-5-9-13(12)22-16/h1-3,6-7H,4-5,8-10H2,(H,18,19)(H,20,21)