dimethyl 3-[(4-acetamidophenyl)sulfanylmethyl]-5-azanyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-[(4-acetamidophenyl)sulfanylmethyl]-5-azanyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-[(4-acetamidophenyl)sulfanylmethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 3-[[(4-acetamidophenyl)thio]methyl]-5-aminothiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[(4-acetamidophenyl)sulfanylmethyl]-5-aminothiophene-2,4-dicarboxylate Traditional Name: 3-[[(4-acetamidophenyl)thio]methyl]-5-amino-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C17H18N2O5S2/c1-9(20)19-10-4-6-11(7-5-10)25-8-12-13(16(21)23-2)15(18)26-14(12)17(22)24-3/h4-7H,8,18H2,1-3H3,(H,19,20)