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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCSC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCSC2=CC=C(C=C2)Cl)C

InChI

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