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

Systemtic Name: ethyl 5-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[3-[(4-chlorophenyl)thio]propanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H18ClNO3S2 MolecularWeight: 383.91272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CCSC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CCSC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C17H18ClNO3S2/c1-3-22-17(21)16-11(2)10-15(24-16)19-14(20)8-9-23-13-6-4-12(18)5-7-13/h4-7,10H,3,8-9H2,1-2H3,(H,19,20)