propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate Openeye Name: isopropyl (E)-2-cyano-3-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)acrylic acid isopropyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C=C(C#N)C(=O)OC(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)/C=C(\C#N)/C(=O)OC(C)C

InChI

InChI=1S/C16H17N3O2S/c1-10(2)21-15(20)14(9-17)8-13-7-11(3)19(12(13)4)16-18-5-6-22-16/h5-8,10H,1-4H3/b14-8+