dimethyl 5-azanyl-3-(2-phenylsulfanylethanoyloxymethyl)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-(2-phenylsulfanylethanoyloxymethyl)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(2-phenylsulfanylacetyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[1-oxo-2-(phenylthio)ethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(2-phenylsulfanylacetyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[2-(phenylthio)acetyl]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)CSC2=CC=CC=C2)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CSC2=CC=CC=C2)C(=O)OC)N

InChI

InChI=1S/C17H17NO6S2/c1-22-16(20)13-11(14(17(21)23-2)26-15(13)18)8-24-12(19)9-25-10-6-4-3-5-7-10/h3-7H,8-9,18H2,1-2H3