ethyl 4-cyano-5-[2-(2-methoxyphenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[2-(2-methoxyphenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[2-(2-methoxyphenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-[(2-methoxyphenyl)thio]-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[2-(2-methoxyphenyl)sulfanylbutanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[2-[(2-methoxyphenyl)thio]butanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)SC2=CC=CC=C2OC

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)SC2=CC=CC=C2OC

InChI

InChI=1S/C20H22N2O4S2/c1-5-15(27-16-10-8-7-9-14(16)25-4)18(23)22-19-13(11-21)12(3)17(28-19)20(24)26-6-2/h7-10,15H,5-6H2,1-4H3,(H,22,23)