(E)-2-(1,3-benzothiazol-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)acrylonitrile Formula: C18H12N2O3S MolecularWeight: 336.36448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H12N2O3S/c1-21-14-7-11(8-15-17(14)23-10-22-15)6-12(9-19)18-20-13-4-2-3-5-16(13)24-18/h2-8H,10H2,1H3/b12-6+