(1R,6S)-6-[(1-benzothiophen-3-ylcarbonylamino)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[(1-benzothiophen-3-ylcarbonylamino)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(benzothiophene-3-carbonylamino)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[[1-benzothiophen-3-yl(oxo)methyl]hydrazo]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(1-benzothiophene-3-carbonylamino)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(benzothiophene-3-carbonylamino)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C19H19N2O4S- MolecularWeight: 371.43016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NNC(=O)C2=CSC3=CC=CC=C32)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NNC(=O)C2=CSC3=CC=CC=C32)C(=O)[O-])C

InChI

InChI=1S/C19H20N2O4S/c1-10-7-13(14(19(24)25)8-11(10)2)17(22)20-21-18(23)15-9-26-16-6-4-3-5-12(15)16/h3-6,9,13-14H,7-8H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/p-1/t13-,14+/m0/s1