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

Systemtic Name: (1S,6R)-3,4-dimethyl-6-[[(5-methylthiophen-3-yl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-3,4-dimethyl-6-[[(5-methylthiophene-3-carbonyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-3,4-dimethyl-6-[[[(5-methyl-3-thiophenyl)-oxomethyl]hydrazo]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-3,4-dimethyl-6-[[(5-methylthiophene-3-carbonyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-3,4-dimethyl-6-[[(5-methylthiophene-3-carbonyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NNC(=O)C2=CSC(=C2)C)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@@H]([C@@H](C1)C(=O)NNC(=O)C2=CSC(=C2)C)C(=O)O)C

InChI

InChI=1S/C16H20N2O4S/c1-8-4-12(13(16(21)22)5-9(8)2)15(20)18-17-14(19)11-6-10(3)23-7-11/h6-7,12-13H,4-5H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)/t12-,13+/m1/s1