(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)propanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-methyl-2-oxo-thiazol-3-yl)propanoate CAS Name: 3-(4-methyl-2-oxo-3-thiazolyl)propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate Traditional Name: 3-(2-keto-4-methyl-4-thiazolin-3-yl)propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=CSC(=O)N1CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C16H16N2O7S/c1-10-8-26-16(20)17(10)3-2-14(19)24-7-12-5-13(18(21)22)4-11-6-23-9-25-15(11)12/h4-5,8H,2-3,6-7,9H2,1H3