ethyl 3-oxidanylidene-4-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanoate

Systemtic Name: ethyl 3-oxidanylidene-4-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanoate Openeye Name: ethyl 3-oxo-4-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanoate CAS Name: 3-oxo-4-[[4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-4-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanoate Traditional Name: 3-keto-4-[[4-[[(E)-3-phenylacryloyl]amino]phenyl]thio]butyric acid ethyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=CC=C(C=C1)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H21NO4S/c1-2-26-21(25)14-18(23)15-27-19-11-9-17(10-12-19)22-20(24)13-8-16-6-4-3-5-7-16/h3-13H,2,14-15H2,1H3,(H,22,24)/b13-8+