2-[4-methyl-2-(naphthalen-1-ylmethylsulfanyl)-6-oxidanylidene-1,3-diazinan-5-yl]propanoic acid

Systemtic Name: 2-[4-methyl-2-(naphthalen-1-ylmethylsulfanyl)-6-oxidanylidene-1,3-diazinan-5-yl]propanoic acid Openeye Name: 2-[4-methyl-2-(1-naphthylmethylsulfanyl)-6-oxo-hexahydropyrimidin-5-yl]propanoic acid CAS Name: 2-[4-methyl-2-(1-naphthalenylmethylthio)-6-oxo-1,3-diazinan-5-yl]propanoic acid IUPAC Name: 2-[4-methyl-2-(naphthalen-1-ylmethylsulfanyl)-6-oxo-1,3-diazinan-5-yl]propanoic acid Traditional Name: 2-[4-keto-6-methyl-2-(1-naphthylmethylthio)hexahydropyrimidin-5-yl]propionic acid Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(N1)SCC2=CC=CC3=CC=CC=C32)C(C)C(=O)O

Isomeric SMILES

CC1C(C(=O)NC(N1)SCC2=CC=CC3=CC=CC=C32)C(C)C(=O)O

InChI

InChI=1S/C19H22N2O3S/c1-11(18(23)24)16-12(2)20-19(21-17(16)22)25-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12,16,19-20H,10H2,1-2H3,(H,21,22)(H,23,24)