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

Systemtic Name: ethyl 4-cyano-3-methyl-5-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-4-(phenylthio)butyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[4-(phenylthio)butanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCSC2=CC=CC=C2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCSC2=CC=CC=C2)C#N)C

InChI

InChI=1S/C19H20N2O3S2/c1-3-24-19(23)17-13(2)15(12-20)18(26-17)21-16(22)10-7-11-25-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,21,22)