diethyl 5-[2-(6-chloranyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(6-chloranyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(6-chloro-3-keto-2-methyl-1,4-benzoxazin-4-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H23ClN2O7S MolecularWeight: 494.94522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C3=C(C=CC(=C3)Cl)OC(C2=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C3=C(C=CC(=C3)Cl)OC(C2=O)C

InChI

InChI=1S/C22H23ClN2O7S/c1-5-30-21(28)17-11(3)18(22(29)31-6-2)33-19(17)24-16(26)10-25-14-9-13(23)7-8-15(14)32-12(4)20(25)27/h7-9,12H,5-6,10H2,1-4H3,(H,24,26)