methyl (E)-5-[(3-ethylsulfanyl-2-benzofuran-1-yl)-methyl-amino]pent-2-enoate

Systemtic Name: methyl (E)-5-[(3-ethylsulfanyl-2-benzofuran-1-yl)-methyl-amino]pent-2-enoate Openeye Name: methyl (E)-5-[(3-ethylsulfanylisobenzofuran-1-yl)-methyl-amino]pent-2-enoate CAS Name: (E)-5-[[3-(ethylthio)-1-isobenzofuranyl]-methylamino]-2-pentenoic acid methyl ester IUPAC Name: methyl (E)-5-[(3-ethylsulfanyl-2-benzofuran-1-yl)-methylamino]pent-2-enoate Traditional Name: (E)-5-[[3-(ethylthio)isobenzofuran-1-yl]-methyl-amino]pent-2-enoic acid methyl ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C2C=CC=CC2=C(O1)N(C)CCC=CC(=O)OC

Isomeric SMILES

CCSC1=C2C=CC=CC2=C(O1)N(C)CC/C=C/C(=O)OC

InChI

InChI=1S/C17H21NO3S/c1-4-22-17-14-10-6-5-9-13(14)16(21-17)18(2)12-8-7-11-15(19)20-3/h5-7,9-11H,4,8,12H2,1-3H3/b11-7+