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

Systemtic Name: 4-[(5-azanyl-4-isocyano-3-methyl-thiophen-2-yl)methyl]benzoic acid Openeye Name: 4-[(5-amino-4-isocyano-3-methyl-2-thienyl)methyl]benzoic acid CAS Name: 4-[(5-amino-4-isocyano-3-methyl-2-thiophenyl)methyl]benzoic acid IUPAC Name: 4-[(5-amino-4-isocyano-3-methylthiophen-2-yl)methyl]benzoic acid Traditional Name: 4-[(5-amino-4-isocyano-3-methyl-2-thienyl)methyl]benzoic acid Formula: C14H12N2O2S MolecularWeight: 272.32228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O2S/c1-8-11(19-13(15)12(8)16-2)7-9-3-5-10(6-4-9)14(17)18/h3-6H,7,15H2,1H3,(H,17,18)