[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamidoethanoate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamidoethanoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2)C)SC#N

InChI

InChI=1S/C20H19N3O4S/c1-13-8-16(28-12-21)9-14(2)19(13)23-17(24)11-27-18(25)10-22-20(26)15-6-4-3-5-7-15/h3-9H,10-11H2,1-2H3,(H,22,26)(H,23,24)