1,3-benzothiazol-2-ylmethyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H16N2O4S/c23-18(26-12-17-21-15-8-3-4-9-16(15)27-17)10-5-11-22-19(24)13-6-1-2-7-14(13)20(22)25/h1-4,6-9H,5,10-12H2