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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-hydroxy-4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-hydroxy-4-methoxy-phenyl)acrylonitrile Formula: C17H12N2O2S MolecularWeight: 308.35438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C17H12N2O2S/c1-21-15-7-6-11(9-14(15)20)8-12(10-18)17-19-13-4-2-3-5-16(13)22-17/h2-9,20H,1H3/b12-8+