2-cyano-3-(4-ethoxy-3-iodanyl-5-methoxy-phenyl)prop-2-enethioamide

Systemtic Name: 2-cyano-3-(4-ethoxy-3-iodanyl-5-methoxy-phenyl)prop-2-enethioamide Openeye Name: 2-cyano-3-(4-ethoxy-3-iodo-5-methoxy-phenyl)prop-2-enethioamide CAS Name: 2-cyano-3-(4-ethoxy-3-iodo-5-methoxyphenyl)-2-propenethioamide IUPAC Name: 2-cyano-3-(4-ethoxy-3-iodo-5-methoxyphenyl)prop-2-enethioamide Traditional Name: 2-cyano-3-(4-ethoxy-3-iodo-5-methoxy-phenyl)thioacrylamide Formula: C13H13IN2O2S MolecularWeight: 388.22399

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1I)C=C(C#N)C(=S)N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1I)C=C(C#N)C(=S)N)OC

InChI

InChI=1S/C13H13IN2O2S/c1-3-18-12-10(14)5-8(6-11(12)17-2)4-9(7-15)13(16)19/h4-6H,3H2,1-2H3,(H2,16,19)