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

Systemtic Name: (E)-2-[1,1-bis(oxidanylidene)-2-pentan-3-yl-3H-1,2-benzothiazol-3-yl]-3-ethoxy-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-3-ethoxy-2-[2-(1-ethylpropyl)-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-3-hydroxy-prop-2-enenitrile CAS Name: (E)-2-(1,1-dioxo-2-pentan-3-yl-3H-1,2-benzothiazol-3-yl)-3-ethoxy-3-hydroxy-2-propenenitrile IUPAC Name: (E)-2-(1,1-dioxo-2-pentan-3-yl-3H-1,2-benzothiazol-3-yl)-3-ethoxy-3-hydroxyprop-2-enenitrile Traditional Name: (E)-3-ethoxy-2-[2-(1-ethylpropyl)-1,1-diketo-3H-1,2-benzothiazol-3-yl]-3-hydroxy-acrylonitrile Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(C2=CC=CC=C2S1(=O)=O)C(=C(O)OCC)C#N

Isomeric SMILES

CCC(CC)N1C(C2=CC=CC=C2S1(=O)=O)/C(=C(/O)\OCC)/C#N

InChI

InChI=1S/C17H22N2O4S/c1-4-12(5-2)19-16(14(11-18)17(20)23-6-3)13-9-7-8-10-15(13)24(19,21)22/h7-10,12,16,20H,4-6H2,1-3H3/b17-14-