methyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethoxycarbothioylamino]benzoate

Systemtic Name: methyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethoxycarbothioylamino]benzoate Openeye Name: methyl 2-[2-(1,3-dioxoisoindolin-2-yl)ethoxycarbothioylamino]benzoate CAS Name: 2-[[2-(1,3-dioxo-2-isoindolyl)ethoxy-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbothioylamino]benzoate Traditional Name: 2-(2-phthalimidoethoxycarbothioylamino)benzoic acid methyl ester Formula: C19H16N2O5S MolecularWeight: 384.40574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)OCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)OCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H16N2O5S/c1-25-18(24)14-8-4-5-9-15(14)20-19(27)26-11-10-21-16(22)12-6-2-3-7-13(12)17(21)23/h2-9H,10-11H2,1H3,(H,20,27)