[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-(3-methylthiophen-2-yl)prop-2-enoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-(3-methylthiophen-2-yl)prop-2-enoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (E)-3-(3-methyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-(3-methyl-2-thiophenyl)-2-propenoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (E)-3-(3-methylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-methyl-2-thienyl)acrylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=CC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(SC=C1)/C=C/C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C14H14N2O3S/c1-9-5-6-20-13(9)3-4-14(18)19-8-12(17)11(7-15)10(2)16/h3-6,11,16H,8H2,1-2H3/b4-3+,16-10?/t11-/m1/s1