methyl 2-[3-(2-methylphenyl)prop-2-enoylamino]-3-(methylsulfanylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[3-(2-methylphenyl)prop-2-enoylamino]-3-(methylsulfanylmethylsulfanyl)propanoate Openeye Name: methyl 3-(methylsulfanylmethylsulfanyl)-2-[3-(o-tolyl)prop-2-enoylamino]propanoate CAS Name: 2-[[3-(2-methylphenyl)-1-oxoprop-2-enyl]amino]-3-[(methylthio)methylthio]propanoic acid methyl ester IUPAC Name: methyl 2-[3-(2-methylphenyl)prop-2-enoylamino]-3-(methylsulfanylmethylsulfanyl)propanoate Traditional Name: 3-[(methylthio)methylthio]-2-[[3-(o-tolyl)acryloyl]amino]propionic acid methyl ester Formula: C16H21NO3S2 MolecularWeight: 339.47284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)NC(CSCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C=CC(=O)NC(CSCSC)C(=O)OC

InChI

InChI=1S/C16H21NO3S2/c1-12-6-4-5-7-13(12)8-9-15(18)17-14(16(19)20-2)10-22-11-21-3/h4-9,14H,10-11H2,1-3H3,(H,17,18)