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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: (2-anilino-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-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-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-anilino-2-keto-ethyl) ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3S/c25-20(23-15-8-2-1-3-9-15)14-27-22(26)17-11-5-4-10-16(17)21-24-18-12-6-7-13-19(18)28-21/h1-3,6-9,12-13,16-17H,4-5,10-11,14H2,(H,23,25)/t16-,17-/m0/s1