3-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]-2-cyano-N-(2-ethoxyphenyl)prop-2-enamide

Systemtic Name: 3-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]-2-cyano-N-(2-ethoxyphenyl)prop-2-enamide Openeye Name: 3-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]-2-cyano-N-(2-ethoxyphenyl)prop-2-enamide CAS Name: 3-[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]-2-cyano-N-(2-ethoxyphenyl)-2-propenamide IUPAC Name: 3-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]-2-cyano-N-(2-ethoxyphenyl)prop-2-enamide Traditional Name: 3-[4-(1,3-benzothiazol-2-ylthio)-3-nitro-phenyl]-2-cyano-N-o-phenetyl-acrylamide Formula: C25H18N4O4S2 MolecularWeight: 502.56482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-])C#N

InChI

InChI=1S/C25H18N4O4S2/c1-2-33-21-9-5-3-7-18(21)27-24(30)17(15-26)13-16-11-12-23(20(14-16)29(31)32)35-25-28-19-8-4-6-10-22(19)34-25/h3-14H,2H2,1H3,(H,27,30)