oxolan-2-ylmethyl (E)-2-cyano-3-methylsulfanyl-3-(pyridin-3-ylmethylamino)prop-2-enoate

Systemtic Name: oxolan-2-ylmethyl (E)-2-cyano-3-methylsulfanyl-3-(pyridin-3-ylmethylamino)prop-2-enoate Openeye Name: tetrahydrofuran-2-ylmethyl (E)-2-cyano-3-methylsulfanyl-3-(3-pyridylmethylamino)prop-2-enoate CAS Name: (E)-2-cyano-3-(methylthio)-3-(3-pyridinylmethylamino)-2-propenoic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl (E)-2-cyano-3-methylsulfanyl-3-(pyridin-3-ylmethylamino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(methylthio)-3-(3-pyridylmethylamino)acrylic acid tetrahydrofurfuryl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C(=O)OCC1CCCO1)NCC2=CN=CC=C2

Isomeric SMILES

CS/C(=C(\C#N)/C(=O)OCC1CCCO1)/NCC2=CN=CC=C2

InChI

InChI=1S/C16H19N3O3S/c1-23-15(19-10-12-4-2-6-18-9-12)14(8-17)16(20)22-11-13-5-3-7-21-13/h2,4,6,9,13,19H,3,5,7,10-11H2,1H3/b15-14+