ethyl N-[2-[4-(phenylmethylsulfanyl)butanoylamino]thiophen-3-yl]carbonylcarbamate

Systemtic Name: ethyl N-[2-[4-(phenylmethylsulfanyl)butanoylamino]thiophen-3-yl]carbonylcarbamate Openeye Name: ethyl N-[2-(4-benzylsulfanylbutanoylamino)thiophene-3-carbonyl]carbamate CAS Name: N-[oxo-[2-[[1-oxo-4-(phenylmethylthio)butyl]amino]-3-thiophenyl]methyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-(4-benzylsulfanylbutanoylamino)thiophene-3-carbonyl]carbamate Traditional Name: N-[2-[4-(benzylthio)butanoylamino]thiophene-3-carbonyl]carbamic acid ethyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S2/c1-2-25-19(24)21-17(23)15-10-12-27-18(15)20-16(22)9-6-11-26-13-14-7-4-3-5-8-14/h3-5,7-8,10,12H,2,6,9,11,13H2,1H3,(H,20,22)(H,21,23,24)