[2-(1,5-dimethylpyrrol-3-yl)-1,3-thiazol-4-yl] 2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(1,5-dimethylpyrrol-3-yl)-1,3-thiazol-4-yl] 2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(1,5-dimethylpyrrol-3-yl)thiazol-4-yl] 2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(1,5-dimethyl-3-pyrrolyl)-4-thiazolyl] ester IUPAC Name: [2-(1,5-dimethylpyrrol-3-yl)-1,3-thiazol-4-yl] 2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 2-(tosylamino)propionic acid [2-(1,5-dimethylpyrrol-3-yl)thiazol-4-yl] ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=CSC(=N2)C3=CN(C(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=CSC(=N2)C3=CN(C(=C3)C)C

InChI

InChI=1S/C19H21N3O4S2/c1-12-5-7-16(8-6-12)28(24,25)21-14(3)19(23)26-17-11-27-18(20-17)15-9-13(2)22(4)10-15/h5-11,14,21H,1-4H3