(1S,6R)-6-[(3-propoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[(3-propoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(3-propoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[oxo-[[3-[oxo(propoxy)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(3-propoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(3-propoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C20H24NO5S- MolecularWeight: 390.47326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C20H25NO5S/c1-2-11-26-20(25)16-14-9-5-6-10-15(14)27-18(16)21-17(22)12-7-3-4-8-13(12)19(23)24/h3-4,12-13H,2,5-11H2,1H3,(H,21,22)(H,23,24)/p-1/t12-,13+/m1/s1