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

Systemtic Name: ethyl (E)-2-cyano-3-[(E)-4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-but-2-enoyl]sulfanyl-3-phenylazanyl-prop-2-enoate Openeye Name: ethyl (E)-3-anilino-2-cyano-3-[(E)-4-(4-ethoxyanilino)-4-oxo-but-2-enoyl]sulfanyl-prop-2-enoate CAS Name: (E)-3-anilino-2-cyano-3-[[(E)-4-(4-ethoxyanilino)-1,4-dioxobut-2-enyl]thio]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-anilino-2-cyano-3-[(E)-4-(4-ethoxyanilino)-4-oxobut-2-enoyl]sulfanylprop-2-enoate Traditional Name: (E)-3-anilino-2-cyano-3-[[(E)-4-keto-4-(p-phenetidino)but-2-enoyl]thio]acrylic acid ethyl ester Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C=CC(=O)SC(=C(C#N)C(=O)OCC)NC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)/C=C/C(=O)S/C(=C(\C#N)/C(=O)OCC)/NC2=CC=CC=C2

InChI

InChI=1S/C24H23N3O5S/c1-3-31-19-12-10-18(11-13-19)26-21(28)14-15-22(29)33-23(20(16-25)24(30)32-4-2)27-17-8-6-5-7-9-17/h5-15,27H,3-4H2,1-2H3,(H,26,28)/b15-14+,23-20+