(1R,2S)-2-[[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(5-benzyl-3-carbamoyl-2-thienyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[[3-carbamoyl-5-(phenylmethyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(5-benzyl-3-carbamoylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(5-benzyl-3-carbamoyl-2-thienyl)carbamoyl]cyclohexanecarboxylate Formula: C20H21N2O4S- MolecularWeight: 385.45674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)N)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@H](C1)C(=O)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)N)C(=O)[O-]

InChI

InChI=1S/C20H22N2O4S/c21-17(23)16-11-13(10-12-6-2-1-3-7-12)27-19(16)22-18(24)14-8-4-5-9-15(14)20(25)26/h1-3,6-7,11,14-15H,4-5,8-10H2,(H2,21,23)(H,22,24)(H,25,26)/p-1/t14-,15+/m0/s1