ethyl 4-cyano-3-methyl-5-(2-phenylsulfanylpropanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-(2-phenylsulfanylpropanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-(2-phenylsulfanylpropanoylamino)thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-2-(phenylthio)propyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-(2-phenylsulfanylpropanoylamino)thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[2-(phenylthio)propanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=CC=CC=C2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=CC=CC=C2)C#N)C

InChI

InChI=1S/C18H18N2O3S2/c1-4-23-18(22)15-11(2)14(10-19)17(25-15)20-16(21)12(3)24-13-8-6-5-7-9-13/h5-9,12H,4H2,1-3H3,(H,20,21)