ethyl 2-[(2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-[(5-chloro-2-thiophenyl)sulfonylimino]-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-2-(5-chlorothiophen-2-yl)sulfonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C17H17ClN2O4S3 MolecularWeight: 444.97588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NS(=O)(=O)C3=CC=C(S3)Cl)C)C

Isomeric SMILES

CCOC(=O)CN\1C2=CC(=CC(=C2S/C1=N\S(=O)(=O)C3=CC=C(S3)Cl)C)C

InChI

InChI=1S/C17H17ClN2O4S3/c1-4-24-14(21)9-20-12-8-10(2)7-11(3)16(12)26-17(20)19-27(22,23)15-6-5-13(18)25-15/h5-8H,4,9H2,1-3H3/b19-17-