2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-prop-2-ynyl-pyrrol-1-yl]ethanoate

Systemtic Name: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-prop-2-ynyl-pyrrol-1-yl]ethanoate Openeye Name: 2-[2-[4,5-bis(4-methoxyphenyl)thiazol-2-yl]-3-prop-2-ynyl-pyrrol-1-yl]acetate CAS Name: 2-[2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-3-prop-2-ynyl-1-pyrrolyl]acetate IUPAC Name: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-prop-2-ynylpyrrol-1-yl]acetate Traditional Name: 2-[2-[4,5-bis(4-methoxyphenyl)thiazol-2-yl]-3-propargyl-pyrrol-1-yl]acetate Formula: C26H21N2O4S- MolecularWeight: 457.52094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(SC(=N2)C3=C(C=CN3CC(=O)[O-])CC#C)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(SC(=N2)C3=C(C=CN3CC(=O)[O-])CC#C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H22N2O4S/c1-4-5-18-14-15-28(16-22(29)30)24(18)26-27-23(17-6-10-20(31-2)11-7-17)25(33-26)19-8-12-21(32-3)13-9-19/h1,6-15H,5,16H2,2-3H3,(H,29,30)/p-1