[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC1=CC=CC2=NSN=C21)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC(=O)OCC(=O)NC1=CC=CC2=NSN=C21)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S/c1-12(13-6-3-2-4-7-13)10-17(23)24-11-16(22)19-14-8-5-9-15-18(14)21-25-20-15/h2-9,12H,10-11H2,1H3,(H,19,22)/t12-/m1/s1