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4-[(5-acetamido-4-cyano-3-methyl-thiophen-2-yl)methyl]benzoic acid

4-[(5-acetamido-4-cyano-3-methyl-thiophen-2-yl)methyl]benzoic acid

Systemtic Name:4-[(5-acetamido-4-cyano-3-methyl-thiophen-2-yl)methyl]benzoic acid
Openeye Name:4-[(5-acetamido-4-cyano-3-methyl-2-thienyl)methyl]benzoic acid
CAS Name:4-[(5-acetamido-4-cyano-3-methyl-2-thiophenyl)methyl]benzoic acid
IUPAC Name:4-[(5-acetamido-4-cyano-3-methylthiophen-2-yl)methyl]benzoic acid
Traditional Name:4-[(5-acetamido-4-cyano-3-methyl-2-thienyl)methyl]benzoic acid
Formula: C16H14N2O3S
MolecularWeight: 314.35896
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C)CC2=CC=C(C=C2)C(=O)O


Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C)CC2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C16H14N2O3S/c1-9-13(8-17)15(18-10(2)19)22-14(9)7-11-3-5-12(6-4-11)16(20)21/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)


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