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

Systemtic Name: ethyl (E)-2-cyano-3-[(E)-4-[(4-ethanoylphenyl)amino]-4-oxidanylidene-but-2-enoyl]sulfanyl-3-phenylazanyl-prop-2-enoate Openeye Name: ethyl (E)-3-[(E)-4-(4-acetylanilino)-4-oxo-but-2-enoyl]sulfanyl-3-anilino-2-cyano-prop-2-enoate CAS Name: (E)-3-[[(E)-4-(4-acetylanilino)-1,4-dioxobut-2-enyl]thio]-3-anilino-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(E)-4-(4-acetylanilino)-4-oxobut-2-enoyl]sulfanyl-3-anilino-2-cyanoprop-2-enoate Traditional Name: (E)-3-[[(E)-4-(4-acetylanilino)-4-keto-but-2-enoyl]thio]-3-anilino-2-cyano-acrylic acid ethyl ester Formula: C24H21N3O5S MolecularWeight: 463.50564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O5S/c1-3-32-24(31)20(15-25)23(27-18-7-5-4-6-8-18)33-22(30)14-13-21(29)26-19-11-9-17(10-12-19)16(2)28/h4-14,27H,3H2,1-2H3,(H,26,29)/b14-13+,23-20+