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

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-benzylsulfanylacetyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzylsulfanylacetyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-4,5-dimethyl-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(=C1C)C)NC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO3S2/c1-4-22-18(21)16-12(2)13(3)24-17(16)19-15(20)11-23-10-14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,19,20)