S-tert-butyl 3-[2-[methyl(phenylmethoxycarbonyl)amino]phenyl]-3-oxidanylidene-propanethioate

Systemtic Name: S-tert-butyl 3-[2-[methyl(phenylmethoxycarbonyl)amino]phenyl]-3-oxidanylidene-propanethioate Openeye Name: S-tert-butyl 3-[2-[benzyloxycarbonyl(methyl)amino]phenyl]-3-oxo-propanethioate CAS Name: 3-[2-[methyl(phenylmethoxycarbonyl)amino]phenyl]-3-oxopropanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 3-[2-[methyl(phenylmethoxycarbonyl)amino]phenyl]-3-oxopropanethioate Traditional Name: 3-[2-[carbobenzoxy(methyl)amino]phenyl]-3-keto-propanethioic acid S-tert-butyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC(=O)C1=CC=CC=C1N(C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)SC(=O)CC(=O)C1=CC=CC=C1N(C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25NO4S/c1-22(2,3)28-20(25)14-19(24)17-12-8-9-13-18(17)23(4)21(26)27-15-16-10-6-5-7-11-16/h5-13H,14-15H2,1-4H3