[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCN2C(=O)CSC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCN2C(=O)CSC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6S/c1-13-6-7-14(10-16(13)22(26)27)17(23)11-28-20(25)8-9-21-15-4-2-3-5-18(15)29-12-19(21)24/h2-7,10H,8-9,11-12H2,1H3