[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)COCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)COCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H21N3O4S/c20-13-19(8-4-1-5-9-19)22-16(23)10-26-18(24)12-25-11-17-21-14-6-2-3-7-15(14)27-17/h2-3,6-7H,1,4-5,8-12H2,(H,22,23)