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

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)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-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N2O5S/c24-16(13-8-9-17-15(10-13)22-19(25)12-27-17)11-28-21(26)7-3-6-20-23-14-4-1-2-5-18(14)29-20/h1-2,4-5,8-10H,3,6-7,11-12H2,(H,22,25)