2-[carboxymethyl-[[4-(3-isothiocyanatophenyl)pyridin-2-yl]methyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[[4-(3-isothiocyanatophenyl)pyridin-2-yl]methyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[[4-(3-isothiocyanatophenyl)-2-pyridyl]methyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[[4-(3-isothiocyanatophenyl)-2-pyridinyl]methyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[[4-(3-isothiocyanatophenyl)pyridin-2-yl]methyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[[4-(3-isothiocyanatophenyl)-2-pyridyl]methyl]amino]acetic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N=C=S)C2=CC(=NC=C2)CN(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N=C=S)C2=CC(=NC=C2)CN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C17H15N3O4S/c21-16(22)9-20(10-17(23)24)8-15-7-13(4-5-18-15)12-2-1-3-14(6-12)19-11-25/h1-7H,8-10H2,(H,21,22)(H,23,24)