(1R,6R)-6-[[(5-ethylthiophen-3-yl)carbonylamino]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-[[(5-ethylthiophen-3-yl)carbonylamino]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[[(5-ethylthiophene-3-carbonyl)amino]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[[[(5-ethyl-3-thiophenyl)-oxomethyl]hydrazo]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[[(5-ethylthiophene-3-carbonyl)amino]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[[(5-ethylthiophene-3-carbonyl)amino]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C17H21N2O4S- MolecularWeight: 349.42464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CS1)C(=O)NNC(=O)C2CC(=C(CC2C(=O)[O-])C)C

Isomeric SMILES

CCC1=CC(=CS1)C(=O)NNC(=O)[C@@H]2CC(=C(C[C@H]2C(=O)[O-])C)C

InChI

InChI=1S/C17H22N2O4S/c1-4-12-7-11(8-24-12)15(20)18-19-16(21)13-5-9(2)10(3)6-14(13)17(22)23/h7-8,13-14H,4-6H2,1-3H3,(H,18,20)(H,19,21)(H,22,23)/p-1/t13-,14-/m1/s1