3-[[(E)-3-methylbut-1-enyl]-(4-methylphenyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[(E)-3-methylbut-1-enyl]-(4-methylphenyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-methylbenzoyl)-[(E)-3-methylbut-1-enyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(E)-3-methylbut-1-enyl]-[(4-methylphenyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylbenzoyl)-[(E)-3-methylbut-1-enyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[(E)-3-methylbut-1-enyl]-p-toluoyl-amino]-5-phenyl-2-thenoic acid Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(C=CC(C)C)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(/C=C/C(C)C)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H23NO3S/c1-16(2)13-14-25(23(26)19-11-9-17(3)10-12-19)20-15-21(29-22(20)24(27)28)18-7-5-4-6-8-18/h4-16H,1-3H3,(H,27,28)/b14-13+