(5-methyl-2-propan-2-yl-cyclohexyl) 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetate CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C21H29NO3S2 MolecularWeight: 407.58986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)OC3CC(CCC3C(C)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)OC3CC(CCC3C(C)C)C

InChI

InChI=1S/C21H29NO3S2/c1-5-24-15-7-9-17-19(11-15)27-21(22-17)26-12-20(23)25-18-10-14(4)6-8-16(18)13(2)3/h7,9,11,13-14,16,18H,5-6,8,10,12H2,1-4H3