1-[(E)-2-cyano-1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[4-(5-methyl-2,3-dihydro-1H-inden-4-yl)-1,3-thiazol-2-yl]ethenoxy]ethyl butanoate

Systemtic Name: 1-[(E)-2-cyano-1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[4-(5-methyl-2,3-dihydro-1H-inden-4-yl)-1,3-thiazol-2-yl]ethenoxy]ethyl butanoate Openeye Name: 1-[(E)-2-cyano-1-(2,4-dimethylthiazol-5-yl)-2-[4-(5-methylindan-4-yl)thiazol-2-yl]vinyloxy]ethyl butanoate CAS Name: butanoic acid 1-[(E)-2-cyano-1-(2,4-dimethyl-5-thiazolyl)-2-[4-(5-methyl-2,3-dihydro-1H-inden-4-yl)-2-thiazolyl]ethenoxy]ethyl ester IUPAC Name: 1-[(E)-2-cyano-1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[4-(5-methyl-2,3-dihydro-1H-inden-4-yl)-1,3-thiazol-2-yl]ethenoxy]ethyl butanoate Traditional Name: butyric acid 1-[(E)-2-cyano-1-(2,4-dimethylthiazol-5-yl)-2-[4-(5-methylindan-4-yl)thiazol-2-yl]vinyloxy]ethyl ester Formula: C27H29N3O3S2 MolecularWeight: 507.66746

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)OC(=C(C#N)C1=NC(=CS1)C2=C(C=CC3=C2CCC3)C)C4=C(N=C(S4)C)C

Isomeric SMILES

CCCC(=O)OC(C)O/C(=C(\C#N)/C1=NC(=CS1)C2=C(C=CC3=C2CCC3)C)/C4=C(N=C(S4)C)C

InChI

InChI=1S/C27H29N3O3S2/c1-6-8-23(31)32-18(5)33-25(26-16(3)29-17(4)35-26)21(13-28)27-30-22(14-34-27)24-15(2)11-12-19-9-7-10-20(19)24/h11-12,14,18H,6-10H2,1-5H3/b25-21+