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

Systemtic Name: diethyl 3-methyl-5-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[3-(2-keto-1,3-benzoxazol-3-yl)propanoylamino]-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)CCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2C3=CC=CC=C3OC2=O

InChI

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