dimethyl 5-azanyl-3-[(4-methylsulfanylphenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(4-methylsulfanylphenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4-methylsulfanylbenzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[4-(methylthio)phenyl]-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-methylsulfanylbenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[4-(methylthio)benzoyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H17NO6S2 MolecularWeight: 395.44998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=CC=C(C=C2)SC)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=CC=C(C=C2)SC)C(=O)OC)N

InChI

InChI=1S/C17H17NO6S2/c1-22-16(20)12-11(13(17(21)23-2)26-14(12)18)8-24-15(19)9-4-6-10(25-3)7-5-9/h4-7H,8,18H2,1-3H3