ethyl (E)-3-[2-[pent-4-ynylsulfanylcarbonyl-(phenylmethyl)amino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[2-[pent-4-ynylsulfanylcarbonyl-(phenylmethyl)amino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[2-[benzyl(pent-4-ynylsulfanylcarbonyl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[2-[[oxo-(pent-4-ynylthio)methyl]-(phenylmethyl)amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-[benzyl(pent-4-ynylsulfanylcarbonyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[2-[benzyl-(pent-4-ynylthio)carbonyl-amino]phenyl]acrylic acid ethyl ester Formula: C24H25NO3S MolecularWeight: 407.5252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=CC=C1N(CC2=CC=CC=C2)C(=O)SCCCC#C

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=CC=C1N(CC2=CC=CC=C2)C(=O)SCCCC#C

InChI

InChI=1S/C24H25NO3S/c1-3-5-11-18-29-24(27)25(19-20-12-7-6-8-13-20)22-15-10-9-14-21(22)16-17-23(26)28-4-2/h1,6-10,12-17H,4-5,11,18-19H2,2H3/b17-16+