methyl 3-(2-methylsulfanylethyl)-2-propanoylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-propanoylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-propanoylimino-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-(1-oxopropylimino)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylethyl)-2-propanoylimino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-propionylimino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C15H18N2O3S2 MolecularWeight: 338.44502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OC)CCSC

Isomeric SMILES

CCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OC)CCSC

InChI

InChI=1S/C15H18N2O3S2/c1-4-13(18)16-15-17(7-8-21-3)11-6-5-10(14(19)20-2)9-12(11)22-15/h5-6,9H,4,7-8H2,1-3H3