[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate

Systemtic Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate Openeye Name: [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-methyl-2-oxo-propyl] (E)-3-(5-methyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-methyl-2-thiophenyl)-2-propenoic acid [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] ester IUPAC Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-methyl-2-thienyl)acrylic acid [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-1-methyl-propyl] ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=O)OC(C)C(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=O)O[C@H](C)C(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C20H17N3O3S/c1-12-7-8-14(27-12)9-10-18(24)26-13(2)19(25)15(11-21)20-22-16-5-3-4-6-17(16)23-20/h3-10,13,22-23H,1-2H3/b10-9+/t13-/m1/s1