[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-chloranylphenoxy)ethanoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-chloranylphenoxy)ethanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(3-chlorophenoxy)acetate CAS Name: 2-(3-chlorophenoxy)acetic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate Traditional Name: 2-(3-chlorophenoxy)acetic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C18H15ClN2O4S MolecularWeight: 390.8407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)COC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)COC2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H15ClN2O4S/c1-12-7-15(26-11-20)5-6-16(12)21-17(22)9-25-18(23)10-24-14-4-2-3-13(19)8-14/h2-8H,9-10H2,1H3,(H,21,22)