[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C21H19N3O4S/c1-12(2)13-3-5-14(6-4-13)20-23-19(28-24-20)10-27-21(26)15-7-8-17-16(9-15)22-18(25)11-29-17/h3-9,12H,10-11H2,1-2H3,(H,22,25)