ethyl 2-[[(Z)-2-cyano-3-(5-nitro-2-phenylsulfanyl-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(Z)-2-cyano-3-(5-nitro-2-phenylsulfanyl-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(Z)-2-cyano-3-(5-nitro-2-phenylsulfanyl-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(Z)-2-cyano-3-[5-nitro-2-(phenylthio)phenyl]-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(Z)-2-cyano-3-(5-nitro-2-phenylsulfanylphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(Z)-2-cyano-3-[5-nitro-2-(phenylthio)phenyl]acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H21N3O5S2 MolecularWeight: 507.58134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C\C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3)/C#N

InChI

InChI=1S/C25H21N3O5S2/c1-4-33-25(30)22-15(2)16(3)34-24(22)27-23(29)18(14-26)12-17-13-19(28(31)32)10-11-21(17)35-20-8-6-5-7-9-20/h5-13H,4H2,1-3H3,(H,27,29)/b18-12-