ethyl 2-[2-(phenylmethylsulfanyl)ethanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(phenylmethylsulfanyl)ethanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-benzylsulfanylacetyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzylsulfanylacetyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(benzylthio)acetyl]amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C20H19NO3S2 MolecularWeight: 385.49976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C20H19NO3S2/c1-2-24-20(23)18-15-10-6-7-11-16(15)26-19(18)21-17(22)13-25-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,21,22)