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

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] (E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4-methylphenyl)-2-propenoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] (E)-3-(3-chloro-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-methyl-phenyl)acrylic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C)Cl

InChI

InChI=1S/C20H17ClN2O3S/c1-13-3-4-15(10-17(13)21)5-8-20(25)26-11-19(24)23-18-7-6-16(27-12-22)9-14(18)2/h3-10H,11H2,1-2H3,(H,23,24)/b8-5+