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

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3-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-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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