(1S)-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S)-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S)-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S)-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S)-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S)-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCCCC4C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCCC[C@@H]4C(=O)O

InChI

InChI=1S/C22H22N2O3S/c1-13-6-11-18-19(12-13)28-21(24-18)14-7-9-15(10-8-14)23-20(25)16-4-2-3-5-17(16)22(26)27/h6-12,16-17H,2-5H2,1H3,(H,23,25)(H,26,27)/t16?,17-/m0/s1