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

Systemtic Name: dimethyl 5-[2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(6-chloro-3-keto-1,4-benzoxazin-4-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H17ClN2O7S MolecularWeight: 452.86548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C19H17ClN2O7S/c1-9-15(18(25)27-2)17(30-16(9)19(26)28-3)21-13(23)7-22-11-6-10(20)4-5-12(11)29-8-14(22)24/h4-6H,7-8H2,1-3H3,(H,21,23)