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

Systemtic Name: ethyl (2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl (2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-2-[(5-chloro-2-thiophenyl)sulfonylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-2-(5-chlorothiophen-2-yl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C17H13ClN2O4S3 MolecularWeight: 440.94412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=C(S3)Cl)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=C(S3)Cl)/S2)CC#C

InChI

InChI=1S/C17H13ClN2O4S3/c1-3-9-20-12-6-5-11(16(21)24-4-2)10-13(12)25-17(20)19-27(22,23)15-8-7-14(18)26-15/h1,5-8,10H,4,9H2,2H3/b19-17-