3-(1,3-benzothiazol-2-ylcarbamoyl)-2,2,3-trimethyl-cyclopentane-1-carboxylic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylcarbamoyl)-2,2,3-trimethyl-cyclopentane-1-carboxylic acid Openeye Name: 3-(1,3-benzothiazol-2-ylcarbamoyl)-2,2,3-trimethyl-cyclopentanecarboxylic acid CAS Name: 3-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-2,2,3-trimethyl-1-cyclopentanecarboxylic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylcarbamoyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid Traditional Name: 3-(1,3-benzothiazol-2-ylcarbamoyl)-2,2,3-trimethyl-cyclopentanecarboxylic acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)NC2=NC3=CC=CC=C3S2)C(=O)O)C

Isomeric SMILES

CC1(C(CCC1(C)C(=O)NC2=NC3=CC=CC=C3S2)C(=O)O)C

InChI

InChI=1S/C17H20N2O3S/c1-16(2)10(13(20)21)8-9-17(16,3)14(22)19-15-18-11-6-4-5-7-12(11)23-15/h4-7,10H,8-9H2,1-3H3,(H,20,21)(H,18,19,22)