2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 5-isopropyl-3-methyl-isoxazole-4-carboxylate CAS Name: 3-methyl-5-propan-2-yl-4-isoxazolecarboxylic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Traditional Name: 5-isopropyl-3-methyl-isoxazole-4-carboxylic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C(C)C

InChI

InChI=1S/C17H18N2O6S/c1-10(2)15-14(11(3)18-25-15)17(21)24-9-8-19-16(20)12-6-4-5-7-13(12)26(19,22)23/h4-7,10H,8-9H2,1-3H3