(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(4-acetamidophenyl)sulfonylamino]ethanoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(4-acetamidophenyl)sulfonylamino]ethanoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(4-acetamidophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C18H17N3O5S3 MolecularWeight: 451.53968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CSC(=N2)C3=CSC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CSC(=N2)C3=CSC=C3

InChI

InChI=1S/C18H17N3O5S3/c1-12(22)20-14-2-4-16(5-3-14)29(24,25)19-8-17(23)26-9-15-11-28-18(21-15)13-6-7-27-10-13/h2-7,10-11,19H,8-9H2,1H3,(H,20,22)