ethyl 2-acetamido-3-[3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanyl-propanoate

Systemtic Name: ethyl 2-acetamido-3-[3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanyl-propanoate Openeye Name: ethyl 2-acetamido-3-[(3-methyl-1,4-dioxo-2-naphthyl)sulfanyl]propanoate CAS Name: 2-acetamido-3-[(3-methyl-1,4-dioxo-2-naphthalenyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanylpropanoate Traditional Name: 2-acetamido-3-[(1,4-diketo-3-methyl-2-naphthyl)thio]propionic acid ethyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1=C(C(=O)C2=CC=CC=C2C1=O)C)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CSC1=C(C(=O)C2=CC=CC=C2C1=O)C)NC(=O)C

InChI

InChI=1S/C18H19NO5S/c1-4-24-18(23)14(19-11(3)20)9-25-17-10(2)15(21)12-7-5-6-8-13(12)16(17)22/h5-8,14H,4,9H2,1-3H3,(H,19,20)