methyl (E)-2-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-(prop-2-ynylamino)prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-(prop-2-ynylamino)prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-(prop-2-ynylamino)prop-2-enoate CAS Name: (E)-2-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-3-(prop-2-ynylamino)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-3-(prop-2-ynylamino)prop-2-enoate Traditional Name: (E)-2-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-3-(propargylamino)acrylic acid methyl ester Formula: C15H19N5O2S MolecularWeight: 333.40866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=C(C#N)C(=O)OC)NCC#C

Isomeric SMILES

CC1=C(N=CN1)CSCCN/C(=C(\C#N)/C(=O)OC)/NCC#C

InChI

InChI=1S/C15H19N5O2S/c1-4-5-17-14(12(8-16)15(21)22-3)18-6-7-23-9-13-11(2)19-10-20-13/h1,10,17-18H,5-7,9H2,2-3H3,(H,19,20)/b14-12+