diethyl 3-methyl-5-[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(3-keto-1,4-benzoxazin-4-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=O)COC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=O)COC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O7S/c1-4-28-20(26)17-12(3)18(21(27)29-5-2)31-19(17)22-15(24)10-23-13-8-6-7-9-14(13)30-11-16(23)25/h6-9H,4-5,10-11H2,1-3H3,(H,22,24)