2-(4-chlorophenyl)sulfanylethyl 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C20H16ClNO4S MolecularWeight: 401.86334

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClNO4S/c1-2-9-22-18(23)16-8-3-13(12-17(16)19(22)24)20(25)26-10-11-27-15-6-4-14(21)5-7-15/h2-8,12H,1,9-11H2