2-methoxy-2-(2-pyridin-4-ylethanethioylamino)ethanoic acid

Systemtic Name: 2-methoxy-2-(2-pyridin-4-ylethanethioylamino)ethanoic acid Openeye Name: 2-methoxy-2-[[2-(4-pyridyl)ethanethioyl]amino]acetic acid CAS Name: 2-methoxy-2-[(2-pyridin-4-yl-1-sulfanylideneethyl)amino]acetic acid IUPAC Name: 2-methoxy-2-[(2-pyridin-4-ylethanethioyl)amino]acetic acid Traditional Name: 2-methoxy-2-[[2-(4-pyridyl)thioacetyl]amino]acetic acid Formula: C10H12N2O3S MolecularWeight: 240.27888

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(=O)O)NC(=S)CC1=CC=NC=C1

Isomeric SMILES

COC(C(=O)O)NC(=S)CC1=CC=NC=C1

InChI

InChI=1S/C10H12N2O3S/c1-15-9(10(13)14)12-8(16)6-7-2-4-11-5-3-7/h2-5,9H,6H2,1H3,(H,12,16)(H,13,14)