methyl (2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl (2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl (2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-2-[(5-chloro-2-thiophenyl)sulfonylimino]-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-(5-chlorothiophen-2-yl)sulfonylimino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H13ClN2O6S3 MolecularWeight: 460.93222

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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=C(S3)Cl

Isomeric SMILES

COC(=O)CN\1C2=C(C=C(C=C2)C(=O)OC)S/C1=N\S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H13ClN2O6S3/c1-24-13(20)8-19-10-4-3-9(15(21)25-2)7-11(10)26-16(19)18-28(22,23)14-6-5-12(17)27-14/h3-7H,8H2,1-2H3/b18-16-