(2-benzamido-2-oxidanylidene-ethyl) 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O4S/c27-20(26-22(28)17-9-3-1-4-10-17)16-30-23(29)24(13-7-2-8-14-24)15-21-25-18-11-5-6-12-19(18)31-21/h1,3-6,9-12H,2,7-8,13-16H2,(H,26,27,28)