methyl 3-[2-(2,4-dimethylphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(2,4-dimethylphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2,4-dimethylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(2,4-dimethylphenyl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2,4-dimethylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2,4-dimethylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CCC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CCC(=O)OC)C

InChI

InChI=1S/C20H21N3O5S2/c1-12-4-6-15(13(2)10-12)19(25)22-20-23(9-8-18(24)28-3)16-7-5-14(30(21,26)27)11-17(16)29-20/h4-7,10-11H,8-9H2,1-3H3,(H2,21,26,27)