methyl 3-(2-phenylsulfanylethanoylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(2-phenylsulfanylethanoylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(2-phenylsulfanylacetyl)amino]benzothiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-(phenylthio)ethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(2-phenylsulfanylacetyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-(phenylthio)acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H15NO3S2 MolecularWeight: 357.4466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C18H15NO3S2/c1-22-18(21)17-16(13-9-5-6-10-14(13)24-17)19-15(20)11-23-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,20)