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

Systemtic Name: butyl 4-[6-methyl-1,1-bis(oxidanylidene)-2-pyrrolidin-1-ylcarbonyl-1$l^{6},4-benzothiazin-4-yl]benzoate Openeye Name: butyl 4-[6-methyl-1,1-dioxo-2-(pyrrolidine-1-carbonyl)-1$l^{6},4-benzothiazin-4-yl]benzoate CAS Name: 4-[6-methyl-1,1-dioxo-2-[oxo(1-pyrrolidinyl)methyl]-1$l^{6},4-benzothiazin-4-yl]benzoic acid butyl ester IUPAC Name: butyl 4-[6-methyl-1,1-dioxo-2-(pyrrolidine-1-carbonyl)-1$l^{6},4-benzothiazin-4-yl]benzoate Traditional Name: 4-[1,1-diketo-6-methyl-2-(pyrrolidine-1-carbonyl)-1$l^{6},4-benzothiazin-4-yl]benzoic acid butyl ester Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C=C(S(=O)(=O)C3=C2C=C(C=C3)C)C(=O)N4CCCC4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C=C(S(=O)(=O)C3=C2C=C(C=C3)C)C(=O)N4CCCC4

InChI

InChI=1S/C25H28N2O5S/c1-3-4-15-32-25(29)19-8-10-20(11-9-19)27-17-23(24(28)26-13-5-6-14-26)33(30,31)22-12-7-18(2)16-21(22)27/h7-12,16-17H,3-6,13-15H2,1-2H3