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

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamidoethanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4S/c1-13-9-15(27-12-20)7-8-16(13)22-17(23)11-26-18(24)10-21-19(25)14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H,21,25)(H,22,23)