[2-[2-[(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)sulfanyl]ethylcarbamoyl]phenyl]methyl benzoate

Systemtic Name: [2-[2-[(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)sulfanyl]ethylcarbamoyl]phenyl]methyl benzoate Openeye Name: [2-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)sulfanyl]ethylcarbamoyl]phenyl]methyl benzoate CAS Name: benzoic acid [2-[oxo-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)thio]ethylamino]methyl]phenyl]methyl ester IUPAC Name: [2-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)sulfanyl]ethylcarbamoyl]phenyl]methyl benzoate Traditional Name: benzoic acid [2-[2-[(3-keto-4H-1,4-benzothiazin-2-yl)thio]ethylcarbamoyl]benzyl] ester Formula: C25H22N2O4S2 MolecularWeight: 478.58318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2C(=O)NCCSC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2C(=O)NCCSC3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C25H22N2O4S2/c28-22(26-14-15-32-25-23(29)27-20-12-6-7-13-21(20)33-25)19-11-5-4-10-18(19)16-31-24(30)17-8-2-1-3-9-17/h1-13,25H,14-16H2,(H,26,28)(H,27,29)