[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethoxyphenyl)-2-propenoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethoxyphenyl)acrylic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)C=CC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)/C=C/C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C21H20N2O5S/c1-14-8-18(29-13-22)5-6-19(14)23-20(24)12-28-21(25)7-4-15-9-16(26-2)11-17(10-15)27-3/h4-11H,12H2,1-3H3,(H,23,24)/b7-4+