ethyl 3-[3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoylamino]benzoate

Systemtic Name: ethyl 3-[3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoylamino]benzoate Openeye Name: ethyl 3-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoylamino]benzoate CAS Name: 3-[[1-oxo-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoylamino]benzoate Traditional Name: 3-[3-[(3-keto-4H-1,4-benzothiazin-6-yl)sulfonyl]butanoylamino]benzoic acid ethyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CC(C)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CC(C)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C21H22N2O6S2/c1-3-29-21(26)14-5-4-6-15(10-14)22-19(24)9-13(2)31(27,28)16-7-8-18-17(11-16)23-20(25)12-30-18/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,22,24)(H,23,25)