(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(2-methoxy-4-nitro-phenyl)furan-2-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(2-methoxy-4-nitro-phenyl)furan-2-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(2-methoxy-4-nitro-phenyl)-2-furyl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-ylthio)-3-[5-(2-methoxy-4-nitrophenyl)-2-furanyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-ylthio)-3-[5-(2-methoxy-4-nitro-phenyl)-2-furyl]acrylonitrile Formula: C21H13N3O4S2 MolecularWeight: 435.47562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=C(C#N)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C(\C#N)/SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H13N3O4S2/c1-27-19-10-13(24(25)26)6-8-16(19)18-9-7-14(28-18)11-15(12-22)29-21-23-17-4-2-3-5-20(17)30-21/h2-11H,1H3/b15-11+