6-[(1-benzothiophen-3-ylcarbonylamino)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[(1-benzothiophen-3-ylcarbonylamino)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(benzothiophene-3-carbonylamino)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[1-benzothiophen-3-yl(oxo)methyl]hydrazo]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(1-benzothiophene-3-carbonylamino)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(benzothiophene-3-carbonylamino)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NNC(=O)C2=CSC3=CC=CC=C32)C(=O)O)C

Isomeric SMILES

CC1=C(CC(C(C1)C(=O)NNC(=O)C2=CSC3=CC=CC=C32)C(=O)O)C

InChI

InChI=1S/C19H20N2O4S/c1-10-7-13(14(19(24)25)8-11(10)2)17(22)20-21-18(23)15-9-26-16-6-4-3-5-12(15)16/h3-6,9,13-14H,7-8H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)