6-[[3-aminocarbonyl-4-(4-tert-butylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-aminocarbonyl-4-(4-tert-butylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(4-tert-butylphenyl)-3-carbamoyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[4-(4-tert-butylphenyl)-3-carbamoyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-(4-tert-butylphenyl)-3-carbamoylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-(4-tert-butylphenyl)-3-carbamoyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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