2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid 2-phthalimidoethyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)CCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)CCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N2O4S/c25-20(12-6-5-11-19-23-17-9-3-4-10-18(17)29-19)28-14-13-24-21(26)15-7-1-2-8-16(15)22(24)27/h1-4,7-10H,5-6,11-14H2