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

Systemtic Name: ethyl 2-[2-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[[2-(3-keto-2-methyl-1,4-benzoxazin-4-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CN2C3=CC=CC=C3OC(C2=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CN2C3=CC=CC=C3OC(C2=O)C

InChI

InChI=1S/C22H26N2O5S/c1-5-28-22(27)19-15(10-13(2)3)12-30-20(19)23-18(25)11-24-16-8-6-7-9-17(16)29-14(4)21(24)26/h6-9,12-14H,5,10-11H2,1-4H3,(H,23,25)