ethyl 3-[methylsulfonyl-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoyl]amino]benzoate

Systemtic Name: ethyl 3-[methylsulfonyl-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoyl]amino]benzoate Openeye Name: ethyl 3-[methylsulfonyl-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate CAS Name: 3-[methylsulfonyl-[1-oxo-2-(3-oxo-4H-1,4-benzothiazin-2-yl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[methylsulfonyl-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(3-keto-4H-1,4-benzothiazin-2-yl)acetyl]-mesyl-amino]benzoic acid ethyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CC2C(=O)NC3=CC=CC=C3S2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CC2C(=O)NC3=CC=CC=C3S2)S(=O)(=O)C

InChI

InChI=1S/C20H20N2O6S2/c1-3-28-20(25)13-7-6-8-14(11-13)22(30(2,26)27)18(23)12-17-19(24)21-15-9-4-5-10-16(15)29-17/h4-11,17H,3,12H2,1-2H3,(H,21,24)