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

Systemtic Name: ethyl (2Z)-3-prop-2-ynyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl (2Z)-3-prop-2-ynyl-2-(2-thienylsulfonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-3-prop-2-ynyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-3-prop-2-ynyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-3-propargyl-2-(2-thienylsulfonylimino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C17H14N2O4S3 MolecularWeight: 406.49906

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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)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O4S3/c1-3-9-19-13-8-7-12(16(20)23-4-2)11-14(13)25-17(19)18-26(21,22)15-6-5-10-24-15/h1,5-8,10-11H,4,9H2,2H3/b18-17-