5-[3-(5-methylthiophen-2-yl)but-2-enoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[3-(5-methylthiophen-2-yl)but-2-enoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[3-(5-methyl-2-thienyl)but-2-enoylamino]benzoic acid CAS Name: 2-hydroxy-5-[[3-(5-methyl-2-thiophenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[3-(5-methylthiophen-2-yl)but-2-enoylamino]benzoic acid Traditional Name: 2-hydroxy-5-[3-(5-methyl-2-thienyl)but-2-enoylamino]benzoic acid Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=CC(=O)NC2=CC(=C(C=C2)O)C(=O)O)C

Isomeric SMILES

CC1=CC=C(S1)C(=CC(=O)NC2=CC(=C(C=C2)O)C(=O)O)C

InChI

InChI=1S/C16H15NO4S/c1-9(14-6-3-10(2)22-14)7-15(19)17-11-4-5-13(18)12(8-11)16(20)21/h3-8,18H,1-2H3,(H,17,19)(H,20,21)