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

Systemtic Name: 6-[(6-bromanyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(6-bromo-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[(6-bromo-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(6-bromo-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(6-bromo-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C15H13BrN2O3S MolecularWeight: 381.24432

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=NC3=C(S2)C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=NC3=C(S2)C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C15H13BrN2O3S/c16-8-5-6-11-12(7-8)22-15(17-11)18-13(19)9-3-1-2-4-10(9)14(20)21/h1-2,5-7,9-10H,3-4H2,(H,20,21)(H,17,18,19)