(2S)-2-(4-ethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(4-ethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-2-(4-ethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-2-(4-ethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(4-ethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-2-keto-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-p-phenetyl-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C25H19N2O5S2- MolecularWeight: 491.55876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)OC)[O-])C(=O)C5=CC=CS5

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)OC)[O-])C(=O)C5=CC=CS5

InChI

InChI=1S/C25H20N2O5S2/c1-3-32-15-8-6-14(7-9-15)21-20(22(28)18-5-4-12-33-18)23(29)24(30)27(21)25-26-17-11-10-16(31-2)13-19(17)34-25/h4-13,21,29H,3H2,1-2H3/p-1/t21-/m0/s1