4-[(4-thiophen-2-ylbutanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(4-thiophen-2-ylbutanoylamino)methyl]benzoic acid Openeye Name: 4-[[4-(2-thienyl)butanoylamino]methyl]benzoic acid CAS Name: 4-[[(1-oxo-4-thiophen-2-ylbutyl)amino]methyl]benzoic acid IUPAC Name: 4-[(4-thiophen-2-ylbutanoylamino)methyl]benzoic acid Traditional Name: 4-[[4-(2-thienyl)butanoylamino]methyl]benzoic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCCC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CSC(=C1)CCCC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H17NO3S/c18-15(5-1-3-14-4-2-10-21-14)17-11-12-6-8-13(9-7-12)16(19)20/h2,4,6-10H,1,3,5,11H2,(H,17,18)(H,19,20)