ethyl 2-(2-cyclopropylcarbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3CC3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3CC3

InChI

InChI=1S/C16H18N2O5S2/c1-3-23-14(19)9-18-12-7-6-11(25(2,21)22)8-13(12)24-16(18)17-15(20)10-4-5-10/h6-8,10H,3-5,9H2,1-2H3