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

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxyphenyl)-2-propenoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-methoxyphenyl)acrylic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4S/c1-14-10-17(27-13-21)7-8-18(14)22-19(23)12-26-20(24)9-6-15-4-3-5-16(11-15)25-2/h3-11H,12H2,1-2H3,(H,22,23)/b9-6+