ethyl 3-[2-(5-chloranylthiophen-2-yl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(5-chloranylthiophen-2-yl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(5-chlorothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(5-chlorothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(5-chlorothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C17H16ClN3O5S3 MolecularWeight: 473.97404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H16ClN3O5S3/c1-2-26-15(22)7-8-21-11-4-3-10(29(19,24)25)9-13(11)28-17(21)20-16(23)12-5-6-14(18)27-12/h3-6,9H,2,7-8H2,1H3,(H2,19,24,25)