ethyl (E)-3-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[(4-chlorophenyl)thio]-3-nitrophenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[(4-chlorophenyl)thio]-3-nitro-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C18H13ClN2O4S MolecularWeight: 388.82482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H13ClN2O4S/c1-2-25-18(22)13(11-20)9-12-3-8-17(16(10-12)21(23)24)26-15-6-4-14(19)5-7-15/h3-10H,2H2,1H3/b13-9+