(1-cyanoindolizin-2-yl)methyl (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(2-methylthiazol-4-yl)prop-2-enoate CAS Name: (E)-3-(2-methyl-4-thiazolyl)-2-propenoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(2-methylthiazol-4-yl)acrylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=CC(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CC1=NC(=CS1)/C=C/C(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C17H13N3O2S/c1-12-19-14(11-23-12)5-6-17(21)22-10-13-9-20-7-3-2-4-16(20)15(13)8-18/h2-7,9,11H,10H2,1H3/b6-5+