[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-propan-2-ylphenoxy)ethanoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-propan-2-ylphenoxy)ethanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(2-isopropylphenoxy)acetate CAS Name: 2-(2-propan-2-ylphenoxy)acetic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate Traditional Name: 2-(2-isopropylphenoxy)acetic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)COC2=CC=CC=C2C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)COC2=CC=CC=C2C(C)C

InChI

InChI=1S/C21H22N2O4S/c1-14(2)17-6-4-5-7-19(17)26-12-21(25)27-11-20(24)23-18-9-8-16(28-13-22)10-15(18)3/h4-10,14H,11-12H2,1-3H3,(H,23,24)