ethyl 5-ethyl-2-[3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCN2C3=CC=CC=C3OC(C2=O)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCN2C3=CC=CC=C3OC(C2=O)C)C(=O)OCC

InChI

InChI=1S/C21H24N2O5S/c1-4-14-12-15(21(26)27-5-2)19(29-14)22-18(24)10-11-23-16-8-6-7-9-17(16)28-13(3)20(23)25/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,24)