diethyl 5-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[(4-methoxyphenyl)thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[(4-methoxyphenyl)thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H25NO6S2 MolecularWeight: 451.5563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S2/c1-5-27-20(24)17-13(3)18(21(25)28-6-2)30-19(17)22-16(23)11-12-29-15-9-7-14(26-4)8-10-15/h7-10H,5-6,11-12H2,1-4H3,(H,22,23)