[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]ethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetate CAS Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetate Traditional Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)CC1(CCCCC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C#CCNC(=O)COC(=O)CC1(CCCCC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H24N2O3S/c1-2-12-22-18(24)15-26-20(25)14-21(10-6-3-7-11-21)13-19-23-16-8-4-5-9-17(16)27-19/h1,4-5,8-9H,3,6-7,10-15H2,(H,22,24)