diethyl 5-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2S)-2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(2S)-2-[(4-chlorophenyl)thio]propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H22ClNO5S2 MolecularWeight: 455.97538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)[C@H](C)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClNO5S2/c1-5-26-19(24)15-11(3)16(20(25)27-6-2)29-18(15)22-17(23)12(4)28-14-9-7-13(21)8-10-14/h7-10,12H,5-6H2,1-4H3,(H,22,23)/t12-/m0/s1