methyl (2Z)-3-(2-methoxy-2-oxidanylidene-ethyl)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl (2Z)-3-(2-methoxy-2-oxidanylidene-ethyl)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl (2Z)-3-(2-methoxy-2-oxo-ethyl)-2-(2-thienylsulfonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-3-(2-methoxy-2-oxoethyl)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl (2Z)-3-(2-methoxy-2-oxoethyl)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-3-(2-keto-2-methoxy-ethyl)-2-(2-thienylsulfonylimino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H14N2O6S3 MolecularWeight: 426.48716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)CN\1C2=C(C=C(C=C2)C(=O)OC)S/C1=N\S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H14N2O6S3/c1-23-13(19)9-18-11-6-5-10(15(20)24-2)8-12(11)26-16(18)17-27(21,22)14-4-3-7-25-14/h3-8H,9H2,1-2H3/b17-16-