(1S,6R)-3,4-dimethyl-6-[(thiophen-2-ylcarbonylamino)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-3,4-dimethyl-6-[(thiophen-2-ylcarbonylamino)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-3,4-dimethyl-6-[(thiophene-2-carbonylamino)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-3,4-dimethyl-6-[oxo-[[oxo(thiophen-2-yl)methyl]hydrazo]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-3,4-dimethyl-6-[(thiophene-2-carbonylamino)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-3,4-dimethyl-6-[(2-thenoylamino)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NNC(=O)C2=CC=CS2)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@@H]([C@@H](C1)C(=O)NNC(=O)C2=CC=CS2)C(=O)O)C

InChI

InChI=1S/C15H18N2O4S/c1-8-6-10(11(15(20)21)7-9(8)2)13(18)16-17-14(19)12-4-3-5-22-12/h3-5,10-11H,6-7H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11+/m1/s1