methyl (2Z)-3-(2-ethoxyethyl)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl (2Z)-3-(2-ethoxyethyl)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl (2Z)-3-(2-ethoxyethyl)-2-(2-thienylsulfonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-3-(2-ethoxyethyl)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl (2Z)-3-(2-ethoxyethyl)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-3-(2-ethoxyethyl)-2-(2-thienylsulfonylimino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H18N2O5S3 MolecularWeight: 426.53022

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S3/c1-3-24-9-8-19-13-7-6-12(16(20)23-2)11-14(13)26-17(19)18-27(21,22)15-5-4-10-25-15/h4-7,10-11H,3,8-9H2,1-2H3/b18-17-