methyl 2-[methanethioyl-[1-(3-methylsulfanylpropyl)cyclobutyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[methanethioyl-[1-(3-methylsulfanylpropyl)cyclobutyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[methanethioyl-[1-(3-methylsulfanylpropyl)cyclobutyl]amino]-3-phenyl-propanoate CAS Name: 2-[methanethioyl-[1-[3-(methylthio)propyl]cyclobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[methanethioyl-[1-(3-methylsulfanylpropyl)cyclobutyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-[3-(methylthio)propyl]cyclobutyl]-thioformyl-amino]-3-phenyl-propionic acid methyl ester Formula: C19H27NO2S2 MolecularWeight: 365.55318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N(C=S)C2(CCC2)CCCSC

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)N(C=S)C2(CCC2)CCCSC

InChI

InChI=1S/C19H27NO2S2/c1-22-18(21)17(14-16-8-4-3-5-9-16)20(15-23)19(10-6-11-19)12-7-13-24-2/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3