2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-chloro-5-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3-chloro-5-ethoxy-4-propargyloxy-phenyl)acrylonitrile Formula: C21H15ClN2O2S2 MolecularWeight: 426.939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN2O2S2/c1-3-9-26-20-16(22)11-14(12-18(20)25-4-2)10-15(13-23)27-21-24-17-7-5-6-8-19(17)28-21/h1,5-8,10-12H,4,9H2,2H3