(1R,2S)-2-[(3-methoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(3-methoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(3-methoxycarbonyl-5-methyl-4-phenyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[(3-methoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(3-methoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(3-carbomethoxy-5-methyl-4-phenyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2CCCCC2C(=O)O)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-12-16(13-8-4-3-5-9-13)17(21(26)27-2)19(28-12)22-18(23)14-10-6-7-11-15(14)20(24)25/h3-5,8-9,14-15H,6-7,10-11H2,1-2H3,(H,22,23)(H,24,25)/t14-,15+/m0/s1