ethyl 4-(2-methylpropyl)-2-[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CN2C(=O)COC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CN2C(=O)COC3=CC=CC=C32

InChI

InChI=1S/C21H24N2O5S/c1-4-27-21(26)19-14(9-13(2)3)12-29-20(19)22-17(24)10-23-15-7-5-6-8-16(15)28-11-18(23)25/h5-8,12-13H,4,9-11H2,1-3H3,(H,22,24)