ethyl 3-[2-[4-(phenylmethyl)phenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-[4-(phenylmethyl)phenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(4-benzylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[oxo-[4-(phenylmethyl)phenyl]methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-benzylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-benzylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C26H25N3O5S2 MolecularWeight: 523.6238

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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(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O5S2/c1-2-34-24(30)14-15-29-22-13-12-21(36(27,32)33)17-23(22)35-26(29)28-25(31)20-10-8-19(9-11-20)16-18-6-4-3-5-7-18/h3-13,17H,2,14-16H2,1H3,(H2,27,32,33)