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

Systemtic Name: methyl (2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl (2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-2-[(5-chloro-2-thiophenyl)sulfonylimino]-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-(5-chlorothiophen-2-yl)sulfonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H15ClN2O5S3 MolecularWeight: 446.9487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NS(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O5S3/c1-23-8-7-19-11-4-3-10(15(20)24-2)9-12(11)25-16(19)18-27(21,22)14-6-5-13(17)26-14/h3-6,9H,7-8H2,1-2H3/b18-16-