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

Systemtic Name: (1R,6S)-6-[(4-phenyl-3-propan-2-yloxycarbonyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(3-isopropoxycarbonyl-4-phenyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[oxo-[[3-[oxo(propan-2-yloxy)methyl]-4-phenyl-2-thiophenyl]amino]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(4-phenyl-3-propan-2-yloxycarbonylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(3-isopropoxycarbonyl-4-phenyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5S/c1-13(2)28-22(27)18-17(14-8-4-3-5-9-14)12-29-20(18)23-19(24)15-10-6-7-11-16(15)21(25)26/h3-9,12-13,15-16H,10-11H2,1-2H3,(H,23,24)(H,25,26)/t15-,16+/m0/s1