2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-ethoxy-4-hydroxy-5-nitro-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3-ethoxy-4-hydroxy-5-nitro-phenyl)acrylonitrile Formula: C18H13N3O4S2 MolecularWeight: 399.44352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H13N3O4S2/c1-2-25-15-9-11(8-14(17(15)22)21(23)24)7-12(10-19)26-18-20-13-5-3-4-6-16(13)27-18/h3-9,22H,2H2,1H3