ethyl 3-(3-ethanoylsulfanylpropanoyl)-5-naphthalen-2-yl-2H-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: ethyl 3-(3-ethanoylsulfanylpropanoyl)-5-naphthalen-2-yl-2H-1,3,4-thiadiazole-2-carboxylate Openeye Name: ethyl 3-(3-acetylsulfanylpropanoyl)-5-(2-naphthyl)-2H-1,3,4-thiadiazole-2-carboxylate CAS Name: 3-[3-(acetylthio)-1-oxopropyl]-5-(2-naphthalenyl)-2H-1,3,4-thiadiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-acetylsulfanylpropanoyl)-5-naphthalen-2-yl-2H-1,3,4-thiadiazole-2-carboxylate Traditional Name: 3-[3-(acetylthio)propanoyl]-5-(2-naphthyl)-2H-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1N(N=C(S1)C2=CC3=CC=CC=C3C=C2)C(=O)CCSC(=O)C

Isomeric SMILES

CCOC(=O)C1N(N=C(S1)C2=CC3=CC=CC=C3C=C2)C(=O)CCSC(=O)C

InChI

InChI=1S/C20H20N2O4S2/c1-3-26-20(25)19-22(17(24)10-11-27-13(2)23)21-18(28-19)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12,19H,3,10-11H2,1-2H3