3-[butanoyl-[(3-methylphenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[butanoyl-[(3-methylphenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[butanoyl(m-tolylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(3-methylphenyl)methyl-(1-oxobutyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[butanoyl-[(3-methylphenyl)methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[butyryl-(3-methylbenzyl)amino]-5-phenyl-2-thenoic acid Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO3S/c1-3-8-21(25)24(15-17-10-7-9-16(2)13-17)19-14-20(28-22(19)23(26)27)18-11-5-4-6-12-18/h4-7,9-14H,3,8,15H2,1-2H3,(H,26,27)