(2S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-2-keto-5-(3-methoxyphenyl)-4-(5-methyl-2-furoyl)-3-pyrrolin-3-olate Formula: C26H21N2O6S- MolecularWeight: 489.51974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)[O-])C(=O)C4=CC=C(O4)C)C5=CC(=CC=C5)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3[C@H](C(=C(C3=O)[O-])C(=O)C4=CC=C(O4)C)C5=CC(=CC=C5)OC

InChI

InChI=1S/C26H22N2O6S/c1-4-33-17-9-10-18-20(13-17)35-26(27-18)28-22(15-6-5-7-16(12-15)32-3)21(24(30)25(28)31)23(29)19-11-8-14(2)34-19/h5-13,22,30H,4H2,1-3H3/p-1/t22-/m0/s1