[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (E)-pent-2-enoate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (E)-pent-2-enoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-4-5-6-15(20)21-9-14(19)18-16-11(2)7-13(22-10-17)8-12(16)3/h5-8H,4,9H2,1-3H3,(H,18,19)/b6-5+