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

Systemtic Name: 6-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)O)C

Isomeric SMILES

CC1=C(CC(C(C1)C(=O)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)O)C

InChI

InChI=1S/C19H19ClN2O4S/c1-9-7-12(13(19(25)26)8-10(9)2)17(23)21-22-18(24)16-15(20)11-5-3-4-6-14(11)27-16/h3-6,12-13H,7-8H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)