[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methylphenoxy)propanoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methylphenoxy)propanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 3-(3-methylphenoxy)propanoate CAS Name: 3-(3-methylphenoxy)propanoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate Traditional Name: 3-(3-methylphenoxy)propionic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-14-4-3-5-16(10-14)25-9-8-20(24)26-12-19(23)22-18-7-6-17(27-13-21)11-15(18)2/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,23)