O1-ethyl O4-[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NC1=C(C=C(C=C1)SC#N)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NC1=C(C=C(C=C1)SC#N)C

InChI

InChI=1S/C16H16N2O5S/c1-3-22-15(20)6-7-16(21)23-9-14(19)18-13-5-4-12(24-10-17)8-11(13)2/h4-8H,3,9H2,1-2H3,(H,18,19)/b7-6+