ethyl 2-(4-phenylsulfanylbutanoylamino)-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(4-phenylsulfanylbutanoylamino)-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(4-phenylsulfanylbutanoylamino)benzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-4-(phenylthio)butyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-phenylsulfanylbutanoylamino)-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(phenylthio)butanoylamino]benzothiophene-3-carboxylic acid ethyl ester Formula: C21H21NO3S2 MolecularWeight: 399.52634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C21H21NO3S2/c1-2-25-21(24)19-16-11-6-7-12-17(16)27-20(19)22-18(23)13-8-14-26-15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3,(H,22,23)