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

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-(1-oxopentylimino)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-valerylimino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H22N2O3S2 MolecularWeight: 366.49818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S2/c1-4-5-6-15(20)18-17-19(9-10-23-3)13-8-7-12(16(21)22-2)11-14(13)24-17/h7-8,11H,4-6,9-10H2,1-3H3