[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(4,5-dihydrothiazol-2-ylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(4,5-dihydrothiazol-2-ylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(2-thiazolin-2-ylcarbamoyl)phenyl] ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=NCCS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=NCCS3

InChI

InChI=1S/C18H18N2O4S2/c1-12-3-4-13(2)16(11-12)26(22,23)24-15-7-5-14(6-8-15)17(21)20-18-19-9-10-25-18/h3-8,11H,9-10H2,1-2H3,(H,19,20,21)