(2R)-2-acetamido-3-[3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-acetamido-3-[3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanyl-propanoic acid Openeye Name: (2R)-2-acetamido-3-[(3-methyl-1,4-dioxo-2-naphthyl)sulfanyl]propanoic acid CAS Name: (2R)-2-acetamido-3-[(3-methyl-1,4-dioxo-2-naphthalenyl)thio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid Traditional Name: (2R)-2-acetamido-3-[(1,4-diketo-3-methyl-2-naphthyl)thio]propionic acid Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)SCC(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)SC[C@@H](C(=O)O)NC(=O)C

InChI

InChI=1S/C16H15NO5S/c1-8-13(19)10-5-3-4-6-11(10)14(20)15(8)23-7-12(16(21)22)17-9(2)18/h3-6,12H,7H2,1-2H3,(H,17,18)(H,21,22)/t12-/m0/s1