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

Systemtic Name: ethyl (E)-3-azanyl-2-(pentanoylamino)-3-(phenylmethylsulfanyl)prop-2-enoate Openeye Name: ethyl (E)-3-amino-3-benzylsulfanyl-2-(pentanoylamino)prop-2-enoate CAS Name: (E)-3-amino-2-(1-oxopentylamino)-3-(phenylmethylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-3-benzylsulfanyl-2-(pentanoylamino)prop-2-enoate Traditional Name: (E)-3-amino-3-(benzylthio)-2-(valerylamino)acrylic acid ethyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=C(N)SCC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCCCC(=O)N/C(=C(\N)/SCC1=CC=CC=C1)/C(=O)OCC

InChI

InChI=1S/C17H24N2O3S/c1-3-5-11-14(20)19-15(17(21)22-4-2)16(18)23-12-13-9-7-6-8-10-13/h6-10H,3-5,11-12,18H2,1-2H3,(H,19,20)/b16-15+