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

Systemtic Name: ethyl 2-[4-(phenylmethylsulfanyl)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-(4-benzylsulfanylbutanoylamino)thiophene-3-carboxylate CAS Name: 2-[[1-oxo-4-(phenylmethylthio)butyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylsulfanylbutanoylamino)thiophene-3-carboxylate Traditional Name: 2-[4-(benzylthio)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C18H21NO3S2 MolecularWeight: 363.49424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)CCCSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)CCCSCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO3S2/c1-2-22-18(21)15-10-12-24-17(15)19-16(20)9-6-11-23-13-14-7-4-3-5-8-14/h3-5,7-8,10,12H,2,6,9,11,13H2,1H3,(H,19,20)