2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: 3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]propanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid 2-phthalimidoethyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H20N2O6S/c24-16(17-6-3-13-30-17)7-8-18(25)22-10-9-19(26)29-12-11-23-20(27)14-4-1-2-5-15(14)21(23)28/h1-6,13H,7-12H2,(H,22,25)