[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H17N3O3S/c1-13(19-22-16-5-3-4-6-17(16)27-19)23(2)18(24)12-26-20(25)15-9-7-14(11-21)8-10-15/h3-10,13H,12H2,1-2H3/t13-/m1/s1