[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3S/c1-3-4-14(18)19-8-13(17)16-12-6-5-11(20-9-15)7-10(12)2/h3-7H,8H2,1-2H3,(H,16,17)/b4-3+