ethyl 4,5-dimethyl-2-[4-(phenylmethylsulfanyl)butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[4-(phenylmethylsulfanyl)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-(4-benzylsulfanylbutanoylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-4-(phenylmethylthio)butyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylsulfanylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[4-(benzylthio)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H25NO3S2 MolecularWeight: 391.5474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCSCC2=CC=CC=C2

InChI

InChI=1S/C20H25NO3S2/c1-4-24-20(23)18-14(2)15(3)26-19(18)21-17(22)11-8-12-25-13-16-9-6-5-7-10-16/h5-7,9-10H,4,8,11-13H2,1-3H3,(H,21,22)