dimethyl 5-azanyl-3-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[3-[(2-chlorophenyl)thio]-1-oxopropoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[3-[(2-chlorophenyl)thio]propanoyloxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H18ClNO6S2 MolecularWeight: 443.92162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CCSC2=CC=CC=C2Cl)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CCSC2=CC=CC=C2Cl)C(=O)OC)N

InChI

InChI=1S/C18H18ClNO6S2/c1-24-17(22)14-10(15(18(23)25-2)28-16(14)20)9-26-13(21)7-8-27-12-6-4-3-5-11(12)19/h3-6H,7-9,20H2,1-2H3