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

Systemtic Name: ethyl (2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl (2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-2-[(5-chloro-2-thiophenyl)sulfonylimino]-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-2-(5-chlorothiophen-2-yl)sulfonylimino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H19ClN2O5S3 MolecularWeight: 475.00186

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NS(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCOCCN\1C2=C(C=C(C=C2)C(=O)OCC)S/C1=N\S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H19ClN2O5S3/c1-3-25-10-9-21-13-6-5-12(17(22)26-4-2)11-14(13)27-18(21)20-29(23,24)16-8-7-15(19)28-16/h5-8,11H,3-4,9-10H2,1-2H3/b20-18-