methyl (2S)-2-[(4Z)-2-methylsulfanyl-5-oxidanylidene-4-(phenylmethylidene)imidazol-1-yl]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[(4Z)-2-methylsulfanyl-5-oxidanylidene-4-(phenylmethylidene)imidazol-1-yl]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[(4Z)-4-benzylidene-2-methylsulfanyl-5-oxo-imidazol-1-yl]-3-hydroxy-propanoate CAS Name: (2S)-3-hydroxy-2-[(4Z)-2-(methylthio)-5-oxo-4-(phenylmethylene)-1-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4Z)-4-benzylidene-2-methylsulfanyl-5-oxoimidazol-1-yl]-3-hydroxypropanoate Traditional Name: (2S)-2-[(4Z)-4-benzal-5-keto-2-(methylthio)-2-imidazolin-1-yl]-3-hydroxy-propionic acid methyl ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)N1C(=O)C(=CC2=CC=CC=C2)N=C1SC

Isomeric SMILES

COC(=O)[C@H](CO)N1C(=O)/C(=C/C2=CC=CC=C2)/N=C1SC

InChI

InChI=1S/C15H16N2O4S/c1-21-14(20)12(9-18)17-13(19)11(16-15(17)22-2)8-10-6-4-3-5-7-10/h3-8,12,18H,9H2,1-2H3/b11-8-/t12-/m0/s1