(1R,6R)-6-[[3-methoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-[[3-methoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[[3-methoxycarbonyl-4-(p-tolyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[[[3-methoxycarbonyl-4-(4-methylphenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[[3-methoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[[3-carbomethoxy-4-(p-tolyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C21H20NO5S- MolecularWeight: 398.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-]

InChI

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