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

Systemtic Name: 3-phenylpropanoyl 2-(methylamino)-3-sulfonyl-3-(1,3-thiazol-4-yl)propanoate Openeye Name: 3-phenylpropanoyl 2-(methylamino)-3-sulfonyl-3-thiazol-4-yl-propanoate CAS Name: 2-(methylamino)-3-sulfonyl-3-(4-thiazolyl)propanoic acid (1-oxo-3-phenylpropyl) ester IUPAC Name: 3-phenylpropanoyl 2-(methylamino)-3-sulfonyl-3-(1,3-thiazol-4-yl)propanoate Traditional Name: 2-(methylamino)-3-sulfonyl-3-thiazol-4-yl-propionic acid hydrocinnamoyl ester Formula: C16H16N2O5S2 MolecularWeight: 380.43864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5S2/c1-17-14(15(25(21)22)12-9-24-10-18-12)16(20)23-13(19)8-7-11-5-3-2-4-6-11/h2-6,9-10,14,17H,7-8H2,1H3