dimethyl 5-azanyl-3-[3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxopropoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C21H22N2O8S/c1-11-19(25)23(13-6-4-5-7-14(13)31-11)9-8-15(24)30-10-12-16(20(26)28-2)18(22)32-17(12)21(27)29-3/h4-7,11H,8-10,22H2,1-3H3