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

Systemtic Name: ethyl 5-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-[(4-chlorophenyl)thio]butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H19ClN2O3S2 MolecularWeight: 422.94876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O3S2/c1-3-25-19(24)17-12(2)15(11-21)18(27-17)22-16(23)5-4-10-26-14-8-6-13(20)7-9-14/h6-9H,3-5,10H2,1-2H3,(H,22,23)