ethyl (E)-2-cyano-3-[[4-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-1,3-thiazol-2-yl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[4-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-1,3-thiazol-2-yl]amino]prop-2-enoate Openeye Name: ethyl (E)-3-[[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]amino]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[[4-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-thiazolyl]amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]amino]prop-2-enoate Traditional Name: (E)-3-[[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]amino]-2-cyano-acrylic acid ethyl ester Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC(=CS1)C2=C(N(C(=C2)C)CC=C)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=NC(=CS1)C2=C(N(C(=C2)C)CC=C)C)/C#N

InChI

InChI=1S/C18H20N4O2S/c1-5-7-22-12(3)8-15(13(22)4)16-11-25-18(21-16)20-10-14(9-19)17(23)24-6-2/h5,8,10-11H,1,6-7H2,2-4H3,(H,20,21)/b14-10+