(E)-3-(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(2-keto-7-methoxy-1,3-benzoxathiol-5-yl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C19H13N3O3S MolecularWeight: 363.38982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C4C(=C3)SC(=O)O4)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C4C(=C3)SC(=O)O4)OC)/C#N

InChI

InChI=1S/C19H13N3O3S/c1-10-3-4-13-14(5-10)22-18(21-13)12(9-20)6-11-7-15(24-2)17-16(8-11)26-19(23)25-17/h3-8H,1-2H3,(H,21,22)/b12-6+