O1-ethyl O4-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-(2-methylsulfanylanilino)-2-oxo-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-(2-methylsulfanylanilino)-2-oxoethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C15H17NO5S MolecularWeight: 323.36418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NC1=CC=CC=C1SC

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NC1=CC=CC=C1SC

InChI

InChI=1S/C15H17NO5S/c1-3-20-14(18)8-9-15(19)21-10-13(17)16-11-6-4-5-7-12(11)22-2/h4-9H,3,10H2,1-2H3,(H,16,17)/b9-8+