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

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenoxy)ethanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(2-cyanophenoxy)acetate CAS Name: 2-(2-cyanophenoxy)acetic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate Traditional Name: 2-(2-cyanophenoxy)acetic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C19H15N3O4S MolecularWeight: 381.4051

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O4S/c1-13-8-15(27-12-21)6-7-16(13)22-18(23)10-26-19(24)11-25-17-5-3-2-4-14(17)9-20/h2-8H,10-11H2,1H3,(H,22,23)