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

Systemtic Name: 4-[(5-acetamido-4-isocyano-3-methyl-thiophen-2-yl)methyl]benzoic acid Openeye Name: 4-[(5-acetamido-4-isocyano-3-methyl-2-thienyl)methyl]benzoic acid CAS Name: 4-[(5-acetamido-4-isocyano-3-methyl-2-thiophenyl)methyl]benzoic acid IUPAC Name: 4-[(5-acetamido-4-isocyano-3-methylthiophen-2-yl)methyl]benzoic acid Traditional Name: 4-[(5-acetamido-4-isocyano-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(=C1[N+]#[C-])NC(=O)C)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1[N+]#[C-])NC(=O)C)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H14N2O3S/c1-9-13(22-15(14(9)17-3)18-10(2)19)8-11-4-6-12(7-5-11)16(20)21/h4-7H,8H2,1-2H3,(H,18,19)(H,20,21)