ethyl 5-ethyl-2-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-4-(2-oxo-1,3-benzoxazol-3-yl)butyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[4-(2-keto-1,3-benzoxazol-3-yl)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCCN2C3=CC=CC=C3OC2=O)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCCN2C3=CC=CC=C3OC2=O)C(=O)OCC

InChI

InChI=1S/C20H22N2O5S/c1-3-13-12-14(19(24)26-4-2)18(28-13)21-17(23)10-7-11-22-15-8-5-6-9-16(15)27-20(22)25/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,21,23)