(E)-3-(1,3-benzodioxol-5-yl)-2-(4-oxidanylidene-1,3-benzothiazin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(4-oxidanylidene-1,3-benzothiazin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,3-benzothiazin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,3-benzothiazin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,3-benzothiazin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(4-keto-1,3-benzothiazin-2-yl)acrylonitrile Formula: C18H10N2O3S MolecularWeight: 334.3486

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C3=NC(=O)C4=CC=CC=C4S3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\C#N)/C3=NC(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C18H10N2O3S/c19-9-12(7-11-5-6-14-15(8-11)23-10-22-14)18-20-17(21)13-3-1-2-4-16(13)24-18/h1-8H,10H2/b12-7+