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

Systemtic Name: ethyl 4-(2-methylpropyl)-2-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[1-oxo-4-(2-oxo-1,3-benzoxazol-3-yl)butyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[4-(2-keto-1,3-benzoxazol-3-yl)butanoylamino]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)CCCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CCCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C22H26N2O5S/c1-4-28-21(26)19-15(12-14(2)3)13-30-20(19)23-18(25)10-7-11-24-16-8-5-6-9-17(16)29-22(24)27/h5-6,8-9,13-14H,4,7,10-12H2,1-3H3,(H,23,25)