[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N2O5S2/c24-16(13-7-8-17-15(10-13)22-19(25)12-27-17)11-28-20(26)6-3-9-29-21-23-14-4-1-2-5-18(14)30-21/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H,22,25)