(2-azanyl-2-oxidanylidene-ethyl) (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylate CAS Name: (1S,2S)-2-(1,3-benzothiazol-2-yl)-1-cyclohexanecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylic acid (2-amino-2-keto-ethyl) ester Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)N

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)N

InChI

InChI=1S/C16H18N2O3S/c17-14(19)9-21-16(20)11-6-2-1-5-10(11)15-18-12-7-3-4-8-13(12)22-15/h3-4,7-8,10-11H,1-2,5-6,9H2,(H2,17,19)/t10-,11-/m0/s1