2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid 2-phthalimidoethyl ester Formula: C18H14ClNO5S MolecularWeight: 391.82546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H14ClNO5S/c19-15-7-6-14(26-15)13(21)5-8-16(22)25-10-9-20-17(23)11-3-1-2-4-12(11)18(20)24/h1-4,6-7H,5,8-10H2