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

Systemtic Name: 2-[4-methyl-2-(naphthalen-1-ylmethylsulfanyl)-6-oxidanylidene-1,3-diazinan-5-yl]ethanoic acid Openeye Name: 2-[4-methyl-2-(1-naphthylmethylsulfanyl)-6-oxo-hexahydropyrimidin-5-yl]acetic acid CAS Name: 2-[4-methyl-2-(1-naphthalenylmethylthio)-6-oxo-1,3-diazinan-5-yl]acetic acid IUPAC Name: 2-[4-methyl-2-(naphthalen-1-ylmethylsulfanyl)-6-oxo-1,3-diazinan-5-yl]acetic acid Traditional Name: 2-[4-keto-6-methyl-2-(1-naphthylmethylthio)hexahydropyrimidin-5-yl]acetic acid Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S/c1-11-15(9-16(21)22)17(23)20-18(19-11)24-10-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,11,15,18-19H,9-10H2,1H3,(H,20,23)(H,21,22)