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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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