methyl 3-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(4-tert-butylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(4-tert-butylanilino)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-tert-butylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(4-tert-butylanilino)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSCCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSCCC(=O)OC

InChI

InChI=1S/C16H23NO3S/c1-16(2,3)12-5-7-13(8-6-12)17-14(18)11-21-10-9-15(19)20-4/h5-8H,9-11H2,1-4H3,(H,17,18)