(2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-oxidanyl-4-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-oxidanyl-4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 2-hydroxy-4-(2-thienylsulfonylamino)benzoate CAS Name: 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-hydroxy-4-(2-thienylsulfonylamino)benzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C21H17N3O5S3 MolecularWeight: 487.57178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CS4)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CS4)O

InChI

InChI=1S/C21H17N3O5S3/c25-18-11-15(24-32(27,28)19-7-4-10-30-19)8-9-17(18)20(26)29-12-16-13-31-21(23-16)22-14-5-2-1-3-6-14/h1-11,13,24-25H,12H2,(H,22,23)