2-[[(4-ethoxycarbonylphenyl)amino]-pyridin-3-yl-methyl]sulfanylethanoic acid

Systemtic Name: 2-[[(4-ethoxycarbonylphenyl)amino]-pyridin-3-yl-methyl]sulfanylethanoic acid Openeye Name: 2-[(4-ethoxycarbonylanilino)-(3-pyridyl)methyl]sulfanylacetic acid CAS Name: 2-[[(4-ethoxycarbonylanilino)-(3-pyridinyl)methyl]thio]acetic acid IUPAC Name: 2-[(4-ethoxycarbonylanilino)-pyridin-3-ylmethyl]sulfanylacetic acid Traditional Name: 2-[[(4-carbethoxyanilino)-(3-pyridyl)methyl]thio]acetic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(C2=CN=CC=C2)SCC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(C2=CN=CC=C2)SCC(=O)O

InChI

InChI=1S/C17H18N2O4S/c1-2-23-17(22)12-5-7-14(8-6-12)19-16(24-11-15(20)21)13-4-3-9-18-10-13/h3-10,16,19H,2,11H2,1H3,(H,20,21)