methyl 3-(2-cyclopropylcarbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: methyl 3-(2-cyclopropylcarbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-[2-(cyclopropanecarbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[cyclopropyl(oxo)methyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(cyclopropanecarbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(cyclopropanecarbonylimino)-6-mesyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3CC3

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3CC3

InChI

InChI=1S/C16H18N2O5S2/c1-23-14(19)7-8-18-12-6-5-11(25(2,21)22)9-13(12)24-16(18)17-15(20)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3