[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(5-acetamido-2-methoxy-anilino)-2-oxo-ethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid [2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=C(C=CC(=C1)NC(=O)C)OC)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=C(C=CC(=C1)NC(=O)C)OC)NC(=O)C2=CC=CS2

InChI

InChI=1S/C21H25N3O6S/c1-12(2)19(24-20(27)17-6-5-9-31-17)21(28)30-11-18(26)23-15-10-14(22-13(3)25)7-8-16(15)29-4/h5-10,12,19H,11H2,1-4H3,(H,22,25)(H,23,26)(H,24,27)