(E)-2-(5-chloranyl-1,3-benzothiazol-2-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(5-chloranyl-1,3-benzothiazol-2-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(5-chloro-1,3-benzothiazol-2-yl)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(5-chloro-1,3-benzothiazol-2-yl)-3-(3-hydroxy-4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(5-chloro-1,3-benzothiazol-2-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(5-chloro-1,3-benzothiazol-2-yl)-3-(3-hydroxy-4-methoxy-phenyl)acrylonitrile Formula: C17H11ClN2O2S MolecularWeight: 342.79944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C2=NC3=C(S2)C=CC(=C3)Cl)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=C(S2)C=CC(=C3)Cl)O

InChI

InChI=1S/C17H11ClN2O2S/c1-22-15-4-2-10(7-14(15)21)6-11(9-19)17-20-13-8-12(18)3-5-16(13)23-17/h2-8,21H,1H3/b11-6+