methyl 3-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H16ClN3O5S3 MolecularWeight: 510.00614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H16ClN3O5S3/c1-29-16(25)8-9-24-13-7-6-11(32(22,27)28)10-15(13)31-20(24)23-19(26)18-17(21)12-4-2-3-5-14(12)30-18/h2-7,10H,8-9H2,1H3,(H2,22,27,28)