S-tert-butyl 3-oxidanylidene-3-phenylazanyl-propanethioate

Systemtic Name: S-tert-butyl 3-oxidanylidene-3-phenylazanyl-propanethioate Openeye Name: S-tert-butyl 3-anilino-3-oxo-propanethioate CAS Name: 3-anilino-3-oxopropanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 3-anilino-3-oxopropanethioate Traditional Name: 3-anilino-3-keto-propanethioic acid S-tert-butyl ester Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)SC(=O)CC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C13H17NO2S/c1-13(2,3)17-12(16)9-11(15)14-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,15)