[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 2-(2-oxo-1-pyrrolidinyl)benzoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 2-(2-ketopyrrolidino)benzoic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)C2=CC=CC=C2N3CCCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)C2=CC=CC=C2N3CCCC3=O

InChI

InChI=1S/C21H19N3O4S/c1-14-11-15(29-13-22)8-9-17(14)23-19(25)12-28-21(27)16-5-2-3-6-18(16)24-10-4-7-20(24)26/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,23,25)