methyl 3-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-(m-tolylmethylsulfanyl)acetyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[2-[(3-methylbenzyl)thio]acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C18H21NO3S2 MolecularWeight: 363.49424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC(CC(=O)OC)C2=CC=CS2

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC(CC(=O)OC)C2=CC=CS2

InChI

InChI=1S/C18H21NO3S2/c1-13-5-3-6-14(9-13)11-23-12-17(20)19-15(10-18(21)22-2)16-7-4-8-24-16/h3-9,15H,10-12H2,1-2H3,(H,19,20)