3-[2-(2-methylpropyl)pent-4-enoylamino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[2-(2-methylpropyl)pent-4-enoylamino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-(2-isobutylpent-4-enoylamino)-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[2-(2-methylpropyl)-1-oxopent-4-enyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[2-(2-methylpropyl)pent-4-enoylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-(2-isobutylpent-4-enoylamino)-5-phenyl-2-thenoic acid Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC=C)C(=O)NC1=C(SC(=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CC(CC=C)C(=O)NC1=C(SC(=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H23NO3S/c1-4-8-15(11-13(2)3)19(22)21-16-12-17(25-18(16)20(23)24)14-9-6-5-7-10-14/h4-7,9-10,12-13,15H,1,8,11H2,2-3H3,(H,21,22)(H,23,24)