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

Systemtic Name: methyl 3-[3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]thiophene-2-carboxylate CAS Name: 3-[[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxopropyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]thiophene-2-carboxylate Traditional Name: 3-[3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C18H18N2O5S/c1-11-17(22)20(13-5-3-4-6-14(13)25-11)9-7-15(21)19-12-8-10-26-16(12)18(23)24-2/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,21)