dimethyl (E)-2-(2-aminophenyl)sulfanylbut-2-enedioate

Systemtic Name: dimethyl (E)-2-(2-aminophenyl)sulfanylbut-2-enedioate Openeye Name: dimethyl (E)-2-(2-aminophenyl)sulfanylbut-2-enedioate CAS Name: (E)-2-[(2-aminophenyl)thio]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(2-aminophenyl)sulfanylbut-2-enedioate Traditional Name: (E)-2-[(2-aminophenyl)thio]but-2-enedioic acid dimethyl ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)SC1=CC=CC=C1N

Isomeric SMILES

COC(=O)/C=C(\C(=O)OC)/SC1=CC=CC=C1N

InChI

InChI=1S/C12H13NO4S/c1-16-11(14)7-10(12(15)17-2)18-9-6-4-3-5-8(9)13/h3-7H,13H2,1-2H3/b10-7+