3-phenylpropanoyl 2-(dimethylamino)-3-sulfonyl-3-(1,3-thiazol-4-yl)propanoate

Systemtic Name: 3-phenylpropanoyl 2-(dimethylamino)-3-sulfonyl-3-(1,3-thiazol-4-yl)propanoate Openeye Name: 3-phenylpropanoyl 2-(dimethylamino)-3-sulfonyl-3-thiazol-4-yl-propanoate CAS Name: 2-(dimethylamino)-3-sulfonyl-3-(4-thiazolyl)propanoic acid (1-oxo-3-phenylpropyl) ester IUPAC Name: 3-phenylpropanoyl 2-(dimethylamino)-3-sulfonyl-3-(1,3-thiazol-4-yl)propanoate Traditional Name: 2-(dimethylamino)-3-sulfonyl-3-thiazol-4-yl-propionic acid hydrocinnamoyl ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(C(=S(=O)=O)C1=CSC=N1)C(=O)OC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CN(C)C(C(=S(=O)=O)C1=CSC=N1)C(=O)OC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O5S2/c1-19(2)15(16(26(22)23)13-10-25-11-18-13)17(21)24-14(20)9-8-12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3