(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2=COC(=N2)C3=CC=CS3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC2=COC(=N2)C3=CC=CS3)C

InChI

InChI=1S/C21H21N3O3S/c1-4-7-24-14(2)9-16(15(24)3)10-17(11-22)21(25)27-13-18-12-26-20(23-18)19-6-5-8-28-19/h5-6,8-10,12H,4,7,13H2,1-3H3/b17-10+