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

Systemtic Name: ethyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H20ClNO3S2 MolecularWeight: 397.9393

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H20ClNO3S2/c1-4-23-18(22)16-11(2)12(3)25-17(16)20-15(21)9-10-24-14-7-5-13(19)6-8-14/h5-8H,4,9-10H2,1-3H3,(H,20,21)