methyl (2S)-2-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl (2S)-2-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl (2S)-3-benzylsulfanyl-2-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]propanoate CAS Name: (2S)-2-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-benzylsulfanyl-2-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]propanoate Traditional Name: (2S)-3-(benzylthio)-2-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]propionic acid methyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)N[C@H](CSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H21N3O4S2/c1-12-8-15(22)21-18(19-12)27-11-16(23)20-14(17(24)25-2)10-26-9-13-6-4-3-5-7-13/h3-8,14H,9-11H2,1-2H3,(H,20,23)(H,19,21,22)/t14-/m1/s1