butyl 4-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(3-oxo-4H-1,4-benzothiazin-2-yl)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-keto-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoic acid butyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O4S/c1-2-3-12-27-21(26)14-8-10-15(11-9-14)22-19(24)13-18-20(25)23-16-6-4-5-7-17(16)28-18/h4-11,18H,2-3,12-13H2,1H3,(H,22,24)(H,23,25)