2-[4-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2-methoxy-phenoxy]acetic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=S)N)OCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=S)N)OCC(=O)O

InChI

InChI=1S/C13H12N2O4S/c1-18-11-5-8(4-9(6-14)13(15)20)2-3-10(11)19-7-12(16)17/h2-5H,7H2,1H3,(H2,15,20)(H,16,17)