methyl 3-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSCCC(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSCCC(=O)OC

InChI

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