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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCN2C3=CC=CC=C3OC2=O

InChI

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