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

Systemtic Name: ethyl 3-(2-methylsulfanylethyl)-2-propanoylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 3-(2-methylsulfanylethyl)-2-propanoylimino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-propionylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S2/c1-4-14(19)17-16-18(8-9-22-3)12-7-6-11(10-13(12)23-16)15(20)21-5-2/h6-7,10H,4-5,8-9H2,1-3H3