3-[2-(4-methoxyphenyl)ethanoyl-prop-2-enyl-amino]-4-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[2-(4-methoxyphenyl)ethanoyl-prop-2-enyl-amino]-4-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[allyl-[2-(4-methoxyphenyl)acetyl]amino]-4-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[2-(4-methoxyphenyl)-1-oxoethyl]-prop-2-enylamino]-4-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-(4-methoxyphenyl)acetyl]-prop-2-enylamino]-4-phenylthiophene-2-carboxylic acid Traditional Name: 3-[allyl-[2-(4-methoxyphenyl)acetyl]amino]-4-phenyl-2-thenoic acid Formula: C23H21NO4S MolecularWeight: 407.48214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N(CC=C)C2=C(SC=C2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N(CC=C)C2=C(SC=C2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H21NO4S/c1-3-13-24(20(25)14-16-9-11-18(28-2)12-10-16)21-19(15-29-22(21)23(26)27)17-7-5-4-6-8-17/h3-12,15H,1,13-14H2,2H3,(H,26,27)