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

Systemtic Name: 2-[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(2-benzamido-4,5,6,7-tetrahydrobenzothiophen-3-yl)sulfanyl]acetate CAS Name: 2-[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)thio]acetate IUPAC Name: 2-[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)sulfanyl]acetate Traditional Name: 2-[(2-benzamido-4,5,6,7-tetrahydrobenzothiophen-3-yl)thio]acetate Formula: C17H16NO3S2- MolecularWeight: 346.44384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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