1-[2-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-keto-ethyl]cyclohexanecarboxylic acid Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CCC(CC1)(CC(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C23H24N2O3S/c26-20(15-23(22(27)28)12-4-1-5-13-23)24-17-10-8-16(9-11-17)14-21-25-18-6-2-3-7-19(18)29-21/h2-3,6-11H,1,4-5,12-15H2,(H,24,26)(H,27,28)