methyl 2-(2-cyclopropylcarbonylimino-6-methylsulfanyl-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: methyl 2-(2-cyclopropylcarbonylimino-6-methylsulfanyl-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-[2-(cyclopropanecarbonylimino)-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[cyclopropyl(oxo)methyl]imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(cyclopropanecarbonylimino)-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(cyclopropanecarbonylimino)-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C15H16N2O3S2 MolecularWeight: 336.42914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)C3CC3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)C3CC3

InChI

InChI=1S/C15H16N2O3S2/c1-20-13(18)8-17-11-6-5-10(21-2)7-12(11)22-15(17)16-14(19)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3