(1S,2S)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]cyclohexanecarboxylic acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)[C@H]3CCCC[C@@H]3C(=O)O

InChI

InChI=1S/C17H19N3O4S/c1-24-11-8-6-10(7-9-11)15-19-20-17(25-15)18-14(21)12-4-2-3-5-13(12)16(22)23/h6-9,12-13H,2-5H2,1H3,(H,22,23)(H,18,20,21)/t12-,13-/m0/s1