(E)-2-[2-butyl-1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-3-yl]-3-ethoxy-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (E)-2-[2-butyl-1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-3-yl]-3-ethoxy-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-2-(2-butyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl)-3-ethoxy-3-hydroxy-prop-2-enenitrile CAS Name: (E)-2-(2-butyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl)-3-ethoxy-3-hydroxy-2-propenenitrile IUPAC Name: (E)-2-(2-butyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl)-3-ethoxy-3-hydroxyprop-2-enenitrile Traditional Name: (E)-2-(2-butyl-1,1-diketo-3H-1,2-benzothiazol-3-yl)-3-ethoxy-3-hydroxy-acrylonitrile Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=CC=CC=C2S1(=O)=O)C(=C(O)OCC)C#N

Isomeric SMILES

CCCCN1C(C2=CC=CC=C2S1(=O)=O)/C(=C(/O)\OCC)/C#N

InChI

InChI=1S/C16H20N2O4S/c1-3-5-10-18-15(13(11-17)16(19)22-4-2)12-8-6-7-9-14(12)23(18,20)21/h6-9,15,19H,3-5,10H2,1-2H3/b16-13-