(E)-2-(1,3-benzothiazol-2-yl)-3-(3-chloranyl-4-ethoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-chloranyl-4-ethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-chloro-4-ethoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-chloro-4-ethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-chloro-4-ethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-chloro-4-ethoxy-phenyl)acrylonitrile Formula: C18H13ClN2OS MolecularWeight: 340.82662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H13ClN2OS/c1-2-22-16-8-7-12(10-14(16)19)9-13(11-20)18-21-15-5-3-4-6-17(15)23-18/h3-10H,2H2,1H3/b13-9+