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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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