ethyl 2-[4-(phenylmethylsulfanyl)butanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(phenylmethylsulfanyl)butanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(4-benzylsulfanylbutanoylamino)benzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-4-(phenylmethylthio)butyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylsulfanylbutanoylamino)-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(benzylthio)butanoylamino]benzothiophene-3-carboxylic acid ethyl ester Formula: C22H23NO3S2 MolecularWeight: 413.55292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCCSCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCCSCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO3S2/c1-2-26-22(25)20-17-11-6-7-12-18(17)28-21(20)23-19(24)13-8-14-27-15-16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,23,24)