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

Systemtic Name: (1S,6R)-6-[[3-aminocarbonyl-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[[3-carbamoyl-4-(4-isopropylphenyl)-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[[3-carbamoyl-5-methyl-4-(4-propan-2-ylphenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[[3-carbamoyl-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[(3-carbamoyl-5-methyl-4-p-cumenyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2CC=CCC2C(=O)O)C(=O)N)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-12(2)14-8-10-15(11-9-14)18-13(3)30-22(19(18)20(24)26)25-21(27)16-6-4-5-7-17(16)23(28)29/h4-5,8-12,16-17H,6-7H2,1-3H3,(H2,24,26)(H,25,27)(H,28,29)/t16-,17+/m1/s1