(1S,6R)-6-[(4-ethyl-5-methyl-3-morpholin-4-ylcarbonyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[(4-ethyl-5-methyl-3-morpholin-4-ylcarbonyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[[4-ethyl-5-methyl-3-[4-morpholinyl(oxo)methyl]-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[[4-ethyl-5-methyl-3-(morpholine-4-carbonyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)N2CCOCC2)NC(=O)C3CC=CCC3C(=O)O)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)N2CCOCC2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)C

InChI

InChI=1S/C20H26N2O5S/c1-3-13-12(2)28-18(16(13)19(24)22-8-10-27-11-9-22)21-17(23)14-6-4-5-7-15(14)20(25)26/h4-5,14-15H,3,6-11H2,1-2H3,(H,21,23)(H,25,26)/t14-,15+/m1/s1