methyl 2-[4-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-2-ethoxy-6-iodanyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-2-ethoxy-6-iodanyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2-ethoxy-6-iodo-phenoxy]acetate CAS Name: 2-[4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2-ethoxy-6-iodophenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2-ethoxy-6-iodophenoxy]acetate Traditional Name: 2-[4-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2-ethoxy-6-iodo-phenoxy]acetic acid methyl ester Formula: C15H15IN2O4S MolecularWeight: 446.26007

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=S)N)I)OCC(=O)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=S)N)I)OCC(=O)OC

InChI

InChI=1S/C15H15IN2O4S/c1-3-21-12-6-9(4-10(7-17)15(18)23)5-11(16)14(12)22-8-13(19)20-2/h4-6H,3,8H2,1-2H3,(H2,18,23)