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

Systemtic Name: ethyl 2-[2-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-4-bromanyl-phenoxy]ethanoate Openeye Name: ethyl 2-[2-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-4-bromo-phenoxy]acetate CAS Name: 2-[2-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-4-bromophenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-4-bromophenoxy]acetate Traditional Name: 2-[2-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-4-bromo-phenoxy]acetic acid ethyl ester Formula: C14H13BrN2O3S MolecularWeight: 369.23362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O3S/c1-2-19-13(18)8-20-12-4-3-11(15)6-9(12)5-10(7-16)14(17)21/h3-6H,2,8H2,1H3,(H2,17,21)