(1S,2S)-2-[[3-aminocarbonyl-4-(4-tert-butylphenyl)-5-methyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[[3-aminocarbonyl-4-(4-tert-butylphenyl)-5-methyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thienyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thienyl]carbamoyl]cyclohexanecarboxylate Formula: C24H29N2O4S- MolecularWeight: 441.56306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2CCCCC2C(=O)[O-])C(=O)N)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C(=O)N)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H30N2O4S/c1-13-18(14-9-11-15(12-10-14)24(2,3)4)19(20(25)27)22(31-13)26-21(28)16-7-5-6-8-17(16)23(29)30/h9-12,16-17H,5-8H2,1-4H3,(H2,25,27)(H,26,28)(H,29,30)/p-1/t16-,17-/m0/s1