tert-butyl 2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-[4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-[4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]amino]ethanoate Openeye Name: tert-butyl 2-[N-(3-acetylsulfanyl-2-methyl-propanoyl)-4-(2-methoxy-2-oxo-ethoxy)anilino]acetate CAS Name: 2-[N-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-(2-methoxy-2-oxoethoxy)anilino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[N-(3-acetylsulfanyl-2-methylpropanoyl)-4-(2-methoxy-2-oxoethoxy)anilino]acetate Traditional Name: 2-[N-[3-(acetylthio)-2-methyl-propanoyl]-4-(2-keto-2-methoxy-ethoxy)anilino]acetic acid tert-butyl ester Formula: C21H29NO7S MolecularWeight: 439.52246

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N(CC(=O)OC(C)(C)C)C1=CC=C(C=C1)OCC(=O)OC

Isomeric SMILES

CC(CSC(=O)C)C(=O)N(CC(=O)OC(C)(C)C)C1=CC=C(C=C1)OCC(=O)OC

InChI

InChI=1S/C21H29NO7S/c1-14(13-30-15(2)23)20(26)22(11-18(24)29-21(3,4)5)16-7-9-17(10-8-16)28-12-19(25)27-6/h7-10,14H,11-13H2,1-6H3