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

Systemtic Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 4-methyl-5-(methylcarbamoyl)-2-[[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 2-[3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CCN2C3=CC=CC=C3OC(C2=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CCN2C3=CC=CC=C3OC(C2=O)C

InChI

InChI=1S/C22H25N3O6S/c1-5-30-22(29)17-12(2)18(19(27)23-4)32-20(17)24-16(26)10-11-25-14-8-6-7-9-15(14)31-13(3)21(25)28/h6-9,13H,5,10-11H2,1-4H3,(H,23,27)(H,24,26)