[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (2E,4E)-hexa-2,4-dienoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-3-4-5-6-16(20)21-10-15(19)18-14-8-7-13(22-11-17)9-12(14)2/h3-9H,10H2,1-2H3,(H,18,19)/b4-3+,6-5+