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

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4S/c1-10-7-12(22-9-16)4-5-13(10)17-14(19)8-21-15(20)6-3-11(2)18/h4-5,7H,3,6,8H2,1-2H3,(H,17,19)