O4-[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester O1-ethyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NC1=C(C=C(C=C1C)SC#N)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)NC1=C(C=C(C=C1C)SC#N)C

InChI

InChI=1S/C17H18N2O5S/c1-4-23-15(21)5-6-16(22)24-9-14(20)19-17-11(2)7-13(25-10-18)8-12(17)3/h5-8H,4,9H2,1-3H3,(H,19,20)/b6-5+