methyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-5-thiocyanato-benzoate

Systemtic Name: methyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-5-thiocyanato-benzoate Openeye Name: methyl 2-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]-5-thiocyanato-benzoate CAS Name: 2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-5-thiocyanatobenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-5-thiocyanatobenzoate Traditional Name: 2-[(2-phthalimidoacetyl)amino]-5-thiocyanato-benzoic acid methyl ester Formula: C19H13N3O5S MolecularWeight: 395.38862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)SC#N)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)SC#N)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H13N3O5S/c1-27-19(26)14-8-11(28-10-20)6-7-15(14)21-16(23)9-22-17(24)12-4-2-3-5-13(12)18(22)25/h2-8H,9H2,1H3,(H,21,23)