aziridin-2-one; 2-ethylsulfanyl-2-methyl-3-naphthalen-1-ylcarbonyl-butanedioic acid

Systemtic Name: aziridin-2-one; 2-ethylsulfanyl-2-methyl-3-naphthalen-1-ylcarbonyl-butanedioic acid Openeye Name: aziridin-2-one; 2-ethylsulfanyl-2-methyl-3-(naphthalene-1-carbonyl)butanedioic acid CAS Name: 2-aziridinone; 2-(ethylthio)-2-methyl-3-[1-naphthalenyl(oxo)methyl]butanedioic acid IUPAC Name: aziridin-2-one; 2-ethylsulfanyl-2-methyl-3-(naphthalene-1-carbonyl)butanedioic acid Traditional Name: ethylenimin-2-one; 2-(ethylthio)-2-methyl-3-(1-naphthoyl)succinic acid Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(C(C(=O)C1=CC=CC2=CC=CC=C21)C(=O)O)C(=O)O.C1C(=O)N1

Isomeric SMILES

CCSC(C)(C(C(=O)C1=CC=CC2=CC=CC=C21)C(=O)O)C(=O)O.C1C(=O)N1

InChI

InChI=1S/C18H18O5S.C2H3NO/c1-3-24-18(2,17(22)23)14(16(20)21)15(19)13-10-6-8-11-7-4-5-9-12(11)13;4-2-1-3-2/h4-10,14H,3H2,1-2H3,(H,20,21)(H,22,23);1H2,(H,3,4)