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

Systemtic Name: 3-[4-methyl-2-(naphthalen-1-ylmethylsulfanyl)-6-oxidanylidene-1,3-diazinan-5-yl]propanoic acid Openeye Name: 3-[4-methyl-2-(1-naphthylmethylsulfanyl)-6-oxo-hexahydropyrimidin-5-yl]propanoic acid CAS Name: 3-[4-methyl-2-(1-naphthalenylmethylthio)-6-oxo-1,3-diazinan-5-yl]propanoic acid IUPAC Name: 3-[4-methyl-2-(naphthalen-1-ylmethylsulfanyl)-6-oxo-1,3-diazinan-5-yl]propanoic acid Traditional Name: 3-[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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c1-12-15(9-10-17(22)23)18(24)21-19(20-12)25-11-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,12,15,19-20H,9-11H2,1H3,(H,21,24)(H,22,23)