methyl 2-[2-(1,3-benzothiazol-2-ylcarbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-ylcarbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzothiazole-2-carbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzothiazol-2-yl(oxo)methyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzothiazole-2-carbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,3-benzothiazole-2-carbonylimino)-6-mesyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H15N3O5S3 MolecularWeight: 461.5345

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H15N3O5S3/c1-27-16(23)10-22-13-8-7-11(30(2,25)26)9-15(13)29-19(22)21-17(24)18-20-12-5-3-4-6-14(12)28-18/h3-9H,10H2,1-2H3