methyl 2-[(2Z)-4,7-dimethoxy-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-4,7-dimethoxy-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-4,7-dimethoxy-2-(2-thienylsulfonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-4,7-dimethoxy-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-4,7-dimethoxy-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-4,7-dimethoxy-2-(2-thienylsulfonylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H16N2O6S3 MolecularWeight: 428.50304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NS(=O)(=O)C3=CC=CS3)N2CC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)S/C(=N\S(=O)(=O)C3=CC=CS3)/N2CC(=O)OC

InChI

InChI=1S/C16H16N2O6S3/c1-22-10-6-7-11(23-2)15-14(10)18(9-12(19)24-3)16(26-15)17-27(20,21)13-5-4-8-25-13/h4-8H,9H2,1-3H3/b17-16-