(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C18H18N2O4S3 MolecularWeight: 422.54152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CSC(=N2)C3=CSC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CSC(=N2)C3=CSC=C3

InChI

InChI=1S/C18H18N2O4S3/c1-13-2-4-16(5-3-13)27(22,23)19-8-6-17(21)24-10-15-12-26-18(20-15)14-7-9-25-11-14/h2-5,7,9,11-12,19H,6,8,10H2,1H3