methyl 2-[4-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-2-bromanyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-2-bromanyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2-bromo-phenoxy]acetate CAS Name: 2-[4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2-bromophenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2-bromophenoxy]acetate Traditional Name: 2-[4-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2-bromo-phenoxy]acetic acid methyl ester Formula: C13H11BrN2O3S MolecularWeight: 355.20704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=C(C=C1)C=C(C#N)C(=S)N)Br

Isomeric SMILES

COC(=O)COC1=C(C=C(C=C1)C=C(C#N)C(=S)N)Br

InChI

InChI=1S/C13H11BrN2O3S/c1-18-12(17)7-19-11-3-2-8(5-10(11)14)4-9(6-15)13(16)20/h2-5H,7H2,1H3,(H2,16,20)