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

Systemtic Name: methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(3,5-dimethylisoxazol-4-yl)sulfonylamino]propanoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(3,5-dimethylisoxazol-4-yl)sulfonylamino]propionic acid methyl ester Formula: C16H20N2O5S2 MolecularWeight: 384.4704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H20N2O5S2/c1-11-15(12(2)23-17-11)25(20,21)18-14(16(19)22-3)10-24-9-13-7-5-4-6-8-13/h4-8,14,18H,9-10H2,1-3H3