2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-ethoxy-3-methoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-ethoxy-3-methoxy-phenyl)acrylonitrile Formula: C19H16N2O2S2 MolecularWeight: 368.47254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C19H16N2O2S2/c1-3-23-16-9-8-13(11-17(16)22-2)10-14(12-20)24-19-21-15-6-4-5-7-18(15)25-19/h4-11H,3H2,1-2H3