(1S,2R)-2-[[3-ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[[3-ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[[3-ethoxycarbonyl-4-(4-ethoxyphenyl)-2-thienyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[[3-ethoxycarbonyl-4-(4-ethoxyphenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[[3-ethoxycarbonyl-4-(4-ethoxyphenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[(3-carbethoxy-4-p-phenetyl-2-thienyl)carbamoyl]cyclohexanecarboxylate Formula: C23H26NO6S- MolecularWeight: 444.52064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C23H27NO6S/c1-3-29-15-11-9-14(10-12-15)18-13-31-21(19(18)23(28)30-4-2)24-20(25)16-7-5-6-8-17(16)22(26)27/h9-13,16-17H,3-8H2,1-2H3,(H,24,25)(H,26,27)/p-1/t16-,17+/m1/s1