5-[(4-dec-1-ynylphenyl)methyl-(2-thiophen-2-ylethanoyl)amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(4-dec-1-ynylphenyl)methyl-(2-thiophen-2-ylethanoyl)amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[(4-dec-1-ynylphenyl)methyl-[2-(2-thienyl)acetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[(4-dec-1-ynylphenyl)methyl-(1-oxo-2-thiophen-2-ylethyl)amino]-2-hydroxybenzoic acid IUPAC Name: 5-[(4-dec-1-ynylphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-hydroxybenzoic acid Traditional Name: 5-[(4-dec-1-ynylbenzyl)-[2-(2-thienyl)acetyl]amino]-2-hydroxy-benzoic acid Formula: C30H33NO4S MolecularWeight: 503.65232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC=C(C=C1)CN(C2=CC(=C(C=C2)O)C(=O)O)C(=O)CC3=CC=CS3

Isomeric SMILES

CCCCCCCCC#CC1=CC=C(C=C1)CN(C2=CC(=C(C=C2)O)C(=O)O)C(=O)CC3=CC=CS3

InChI

InChI=1S/C30H33NO4S/c1-2-3-4-5-6-7-8-9-11-23-13-15-24(16-14-23)22-31(29(33)21-26-12-10-19-36-26)25-17-18-28(32)27(20-25)30(34)35/h10,12-20,32H,2-8,21-22H2,1H3,(H,34,35)