[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (Z)-3-(m-tolyl)-2-(2-thienyl)prop-2-enoate CAS Name: (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-2-propenoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-3-(m-tolyl)-2-(2-thienyl)acrylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C(C2=CC=CS2)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=CC(=C1)/C=C(\C2=CC=CS2)/C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C20H18N2O3S/c1-13-5-3-6-15(9-13)10-16(19-7-4-8-26-19)20(24)25-12-18(23)17(11-21)14(2)22/h3-10,17,22H,12H2,1-2H3/b16-10+,22-14?/t17-/m0/s1