3-[pentanoyl(prop-2-enyl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[pentanoyl(prop-2-enyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[allyl(pentanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[1-oxopentyl(prop-2-enyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[pentanoyl(prop-2-enyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[allyl(valeryl)amino]-5-phenyl-2-thenoic acid Formula: C19H21NO3S MolecularWeight: 343.43994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC=C)C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCC(=O)N(CC=C)C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H21NO3S/c1-3-5-11-17(21)20(12-4-2)15-13-16(24-18(15)19(22)23)14-9-7-6-8-10-14/h4,6-10,13H,2-3,5,11-12H2,1H3,(H,22,23)