(1S,6R)-6-[[(5-propan-2-ylthiophen-3-yl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[[(5-propan-2-ylthiophen-3-yl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[[(5-isopropylthiophene-3-carbonyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[oxo-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]hydrazo]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[[(5-propan-2-ylthiophene-3-carbonyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[[(5-isopropylthiophene-3-carbonyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H20N2O4S MolecularWeight: 336.406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CS1)C(=O)NNC(=O)C2CC=CCC2C(=O)O

Isomeric SMILES

CC(C)C1=CC(=CS1)C(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O

InChI

InChI=1S/C16H20N2O4S/c1-9(2)13-7-10(8-23-13)14(19)17-18-15(20)11-5-3-4-6-12(11)16(21)22/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/t11-,12+/m1/s1