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

Systemtic Name: (1R,2R)-2-[[3-methoxycarbonyl-4-(3-methylphenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2R)-2-[[3-methoxycarbonyl-4-(m-tolyl)-2-thienyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2R)-2-[[[3-methoxycarbonyl-4-(3-methylphenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R)-2-[[3-methoxycarbonyl-4-(3-methylphenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-[[3-carbomethoxy-4-(m-tolyl)-2-thienyl]carbamoyl]cyclohexanecarboxylate Formula: C21H22NO5S- MolecularWeight: 400.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-12-6-5-7-13(10-12)16-11-28-19(17(16)21(26)27-2)22-18(23)14-8-3-4-9-15(14)20(24)25/h5-7,10-11,14-15H,3-4,8-9H2,1-2H3,(H,22,23)(H,24,25)/p-1/t14-,15-/m1/s1