(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid (5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C(OC(=N2)C3=CC=CS3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C(OC(=N2)C3=CC=CS3)C

InChI

InChI=1S/C20H22N2O6S2/c1-3-26-15-6-8-16(9-7-15)30(24,25)21-11-10-19(23)27-13-17-14(2)28-20(22-17)18-5-4-12-29-18/h4-9,12,21H,3,10-11,13H2,1-2H3