3-cyanopropyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: 3-cyanopropyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: 3-cyanopropyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid 3-cyanopropyl ester Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)C(=O)OCCCC#N

Isomeric SMILES

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)C(=O)OCCCC#N

InChI

InChI=1S/C19H22N2O2S/c20-12-6-7-13-23-18(22)19(10-4-1-5-11-19)14-17-21-15-8-2-3-9-16(15)24-17/h2-3,8-9H,1,4-7,10-11,13-14H2