[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C22H24N2O4S/c1-4-13(2)16-7-5-6-8-17(16)24-21(26)14(3)28-22(27)15-9-10-19-18(11-15)23-20(25)12-29-19/h5-11,13-14H,4,12H2,1-3H3,(H,23,25)(H,24,26)