(1S,6R)-3,4-dimethyl-6-[[(5-propylthiophen-3-yl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-3,4-dimethyl-6-[[(5-propylthiophen-3-yl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-3,4-dimethyl-6-[[(5-propylthiophene-3-carbonyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-3,4-dimethyl-6-[oxo-[[oxo-(5-propyl-3-thiophenyl)methyl]hydrazo]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-3,4-dimethyl-6-[[(5-propylthiophene-3-carbonyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-3,4-dimethyl-6-[[(5-propylthiophene-3-carbonyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CS1)C(=O)NNC(=O)C2CC(=C(CC2C(=O)O)C)C

Isomeric SMILES

CCCC1=CC(=CS1)C(=O)NNC(=O)[C@@H]2CC(=C(C[C@@H]2C(=O)O)C)C

InChI

InChI=1S/C18H24N2O4S/c1-4-5-13-8-12(9-25-13)16(21)19-20-17(22)14-6-10(2)11(3)7-15(14)18(23)24/h8-9,14-15H,4-7H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)/t14-,15+/m1/s1