ethyl 4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethoxycarbothioylamino]benzoate

Systemtic Name: ethyl 4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethoxycarbothioylamino]benzoate Openeye Name: ethyl 4-[2-(1,3-dioxoisoindolin-2-yl)ethoxycarbothioylamino]benzoate CAS Name: 4-[[2-(1,3-dioxo-2-isoindolyl)ethoxy-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbothioylamino]benzoate Traditional Name: 4-(2-phthalimidoethoxycarbothioylamino)benzoic acid ethyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)OCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)OCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H18N2O5S/c1-2-26-19(25)13-7-9-14(10-8-13)21-20(28)27-12-11-22-17(23)15-5-3-4-6-16(15)18(22)24/h3-10H,2,11-12H2,1H3,(H,21,28)