(5-methyl-2-propan-2-yl-cyclohexyl) 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate CAS Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate Traditional Name: 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C(C)C

InChI

InChI=1S/C19H25NO5S/c1-12(2)14-9-8-13(3)10-16(14)25-18(21)11-20-19(22)15-6-4-5-7-17(15)26(20,23)24/h4-7,12-14,16H,8-11H2,1-3H3