[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxyphenyl)acrylic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)C=CC2=CC=C(C=C2)OC)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC)C)SC#N

InChI

InChI=1S/C21H20N2O4S/c1-14-10-18(28-13-22)11-15(2)21(14)23-19(24)12-27-20(25)9-6-16-4-7-17(26-3)8-5-16/h4-11H,12H2,1-3H3,(H,23,24)/b9-6+