(1R,6S)-6-[[3-aminocarbonyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[[3-aminocarbonyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[[3-carbamoyl-5-methyl-4-(p-tolyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[[[3-carbamoyl-5-methyl-4-(4-methylphenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[[3-carbamoyl-5-methyl-4-(p-tolyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)N)NC(=O)C3CC=CCC3C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)N)NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)C

InChI

InChI=1S/C21H22N2O4S/c1-11-7-9-13(10-8-11)16-12(2)28-20(17(16)18(22)24)23-19(25)14-5-3-4-6-15(14)21(26)27/h3-4,7-10,14-15H,5-6H2,1-2H3,(H2,22,24)(H,23,25)(H,26,27)/t14-,15+/m0/s1