butyl 4-[2-cyano-1,1-bis(oxidanylidene)-1$l^{6},4-benzothiazin-4-yl]benzoate

Systemtic Name: butyl 4-[2-cyano-1,1-bis(oxidanylidene)-1$l^{6},4-benzothiazin-4-yl]benzoate Openeye Name: butyl 4-(2-cyano-1,1-dioxo-1$l^{6},4-benzothiazin-4-yl)benzoate CAS Name: 4-(2-cyano-1,1-dioxo-1$l^{6},4-benzothiazin-4-yl)benzoic acid butyl ester IUPAC Name: butyl 4-(2-cyano-1,1-dioxo-1$l^{6},4-benzothiazin-4-yl)benzoate Traditional Name: 4-(2-cyano-1,1-diketo-1$l^{6},4-benzothiazin-4-yl)benzoic acid butyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C=C(S(=O)(=O)C3=CC=CC=C32)C#N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C=C(S(=O)(=O)C3=CC=CC=C32)C#N

InChI

InChI=1S/C20H18N2O4S/c1-2-3-12-26-20(23)15-8-10-16(11-9-15)22-14-17(13-21)27(24,25)19-7-5-4-6-18(19)22/h4-11,14H,2-3,12H2,1H3