ethyl (E)-2-cyano-3-[(E)-4-[(4-iodophenyl)amino]-4-oxidanylidene-but-2-enoyl]sulfanyl-3-phenylazanyl-prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[(E)-4-[(4-iodophenyl)amino]-4-oxidanylidene-but-2-enoyl]sulfanyl-3-phenylazanyl-prop-2-enoate Openeye Name: ethyl (E)-3-anilino-2-cyano-3-[(E)-4-(4-iodoanilino)-4-oxo-but-2-enoyl]sulfanyl-prop-2-enoate CAS Name: (E)-3-anilino-2-cyano-3-[[(E)-4-(4-iodoanilino)-1,4-dioxobut-2-enyl]thio]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-anilino-2-cyano-3-[(E)-4-(4-iodoanilino)-4-oxobut-2-enoyl]sulfanylprop-2-enoate Traditional Name: (E)-3-anilino-2-cyano-3-[[(E)-4-(4-iodoanilino)-4-keto-but-2-enoyl]thio]acrylic acid ethyl ester Formula: C22H18IN3O4S MolecularWeight: 547.36549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC=CC=C1)SC(=O)C=CC(=O)NC2=CC=C(C=C2)I)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\NC1=CC=CC=C1)/SC(=O)/C=C/C(=O)NC2=CC=C(C=C2)I)/C#N

InChI

InChI=1S/C22H18IN3O4S/c1-2-30-22(29)18(14-24)21(26-16-6-4-3-5-7-16)31-20(28)13-12-19(27)25-17-10-8-15(23)9-11-17/h3-13,26H,2H2,1H3,(H,25,27)/b13-12+,21-18+