methyl 2-[(2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-[(5-chloro-2-thiophenyl)sulfonylimino]-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(5-chlorothiophen-2-yl)sulfonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H15ClN2O6S3 MolecularWeight: 462.9481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NS(=O)(=O)C3=CC=C(S3)Cl)N2CC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)S/C(=N\S(=O)(=O)C3=CC=C(S3)Cl)/N2CC(=O)OC

InChI

InChI=1S/C16H15ClN2O6S3/c1-23-9-4-5-10(24-2)15-14(9)19(8-12(20)25-3)16(27-15)18-28(21,22)13-7-6-11(17)26-13/h4-7H,8H2,1-3H3/b18-16-