ethyl (E)-3-azanyl-2-(pentanoylamino)-3-phenylsulfanyl-prop-2-enoate

Systemtic Name: ethyl (E)-3-azanyl-2-(pentanoylamino)-3-phenylsulfanyl-prop-2-enoate Openeye Name: ethyl (E)-3-amino-2-(pentanoylamino)-3-phenylsulfanyl-prop-2-enoate CAS Name: (E)-3-amino-2-(1-oxopentylamino)-3-(phenylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-2-(pentanoylamino)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-amino-3-(phenylthio)-2-(valerylamino)acrylic acid ethyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=C(N)SC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCCCC(=O)N/C(=C(\N)/SC1=CC=CC=C1)/C(=O)OCC

InChI

InChI=1S/C16H22N2O3S/c1-3-5-11-13(19)18-14(16(20)21-4-2)15(17)22-12-9-7-6-8-10-12/h6-10H,3-5,11,17H2,1-2H3,(H,18,19)/b15-14+