ethyl 3-azanyl-3-(3-oxidanylidene-3-phenyl-propyl)sulfanyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enoate

Systemtic Name: ethyl 3-azanyl-3-(3-oxidanylidene-3-phenyl-propyl)sulfanyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enoate Openeye Name: ethyl 3-amino-3-(3-oxo-3-phenyl-propyl)sulfanyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enoate CAS Name: 3-amino-3-[(3-oxo-3-phenylpropyl)thio]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-amino-3-(3-oxo-3-phenylpropyl)sulfanyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enoate Traditional Name: 3-amino-3-[(3-keto-3-phenyl-propyl)thio]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acrylic acid ethyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N)SCCC(=O)C1=CC=CC=C1)C2=NN=C(O2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(=C(N)SCCC(=O)C1=CC=CC=C1)C2=NN=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4S/c1-2-28-22(27)18(21-25-24-20(29-21)16-11-7-4-8-12-16)19(23)30-14-13-17(26)15-9-5-3-6-10-15/h3-12H,2,13-14,23H2,1H3