(1R,6R)-6-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6R)-6-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6R)-6-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6R)-6-[[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6R)-6-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6R)-6-[(3-carbethoxy-4-phenyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O

InChI

InChI=1S/C21H21NO5S/c1-2-27-21(26)17-16(13-8-4-3-5-9-13)12-28-19(17)22-18(23)14-10-6-7-11-15(14)20(24)25/h3-9,12,14-15H,2,10-11H2,1H3,(H,22,23)(H,24,25)/t14-,15-/m1/s1