2-[(3-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(3-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(3-benzamido-4,5,6,7-tetrahydrobenzothiophen-2-yl)sulfanyl]acetic acid CAS Name: 2-[(3-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thio]acetic acid IUPAC Name: 2-[(3-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(3-benzamido-4,5,6,7-tetrahydrobenzothiophen-2-yl)thio]acetic acid Formula: C17H17NO3S2 MolecularWeight: 347.45178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO3S2/c19-14(20)10-22-17-15(12-8-4-5-9-13(12)23-17)18-16(21)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,18,21)(H,19,20)