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

Systemtic Name: ethyl 5-[4-(4-chlorophenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(4-chlorophenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(4-chlorophenyl)sulfanylbutanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-[(4-chlorophenyl)thio]butanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H20ClNO3S2 MolecularWeight: 397.9393

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO3S2/c1-3-23-18(22)17-12(2)11-16(25-17)20-15(21)5-4-10-24-14-8-6-13(19)7-9-14/h6-9,11H,3-5,10H2,1-2H3,(H,20,21)