ethyl (2Z)-3-(2-methoxyethyl)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=CS3)S2)CCOC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=CS3)/S2)CCOC

InChI

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