methyl 2-[4-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-5-bromanyl-2-methoxy-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-5-bromanyl-2-methoxy-phenoxy]ethanoate Openeye Name: methyl 2-[4-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-5-bromo-2-methoxy-phenoxy]acetate CAS Name: 2-[4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-5-bromo-2-methoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-5-bromo-2-methoxyphenoxy]acetate Traditional Name: 2-[4-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-5-bromo-2-methoxy-phenoxy]acetic acid methyl ester Formula: C14H13BrN2O4S MolecularWeight: 385.23302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=S)N)Br)OCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C=C(C#N)C(=S)N)Br)OCC(=O)OC

InChI

InChI=1S/C14H13BrN2O4S/c1-19-11-4-8(3-9(6-16)14(17)22)10(15)5-12(11)21-7-13(18)20-2/h3-5H,7H2,1-2H3,(H2,17,22)