6-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C15H13ClN2O3S MolecularWeight: 336.79332

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=NC3=C(S2)C=CC=C3Cl)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=NC3=C(S2)C=CC=C3Cl)C(=O)O

InChI

InChI=1S/C15H13ClN2O3S/c16-10-6-3-7-11-12(10)17-15(22-11)18-13(19)8-4-1-2-5-9(8)14(20)21/h1-3,6-9H,4-5H2,(H,20,21)(H,17,18,19)