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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-benzyloxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-benzoxy-3-methoxy-phenyl)acrylonitrile Formula: C24H18N2O2S MolecularWeight: 398.47692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)OCC4=CC=CC=C4

InChI

InChI=1S/C24H18N2O2S/c1-27-22-14-18(11-12-21(22)28-16-17-7-3-2-4-8-17)13-19(15-25)24-26-20-9-5-6-10-23(20)29-24/h2-14H,16H2,1H3/b19-13+