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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-5-iodanyl-4-methoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-5-iodo-4-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-5-iodo-4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-5-iodo-4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-ethoxy-5-iodo-4-methoxy-phenyl)acrylonitrile Formula: C19H15IN2O2S MolecularWeight: 462.30407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15IN2O2S/c1-3-24-16-10-12(9-14(20)18(16)23-2)8-13(11-21)19-22-15-6-4-5-7-17(15)25-19/h4-10H,3H2,1-2H3/b13-8+