(2R)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-2-(3-propoxyphenyl)-2H-pyrrol-4-olate

Systemtic Name: (2R)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-2-(3-propoxyphenyl)-2H-pyrrol-4-olate Openeye Name: (2R)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-olate CAS Name: (2R)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: (2R)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-olate Traditional Name: (5R)-1-(6-ethyl-1,3-benzothiazol-2-yl)-2-keto-4-(5-methyl-2-furoyl)-5-(3-propoxyphenyl)-3-pyrrolin-3-olate Formula: C28H25N2O5S- MolecularWeight: 501.5735

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)CC)[O-])C(=O)C5=CC=C(O5)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)[C@@H]2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)CC)[O-])C(=O)C5=CC=C(O5)C

InChI

InChI=1S/C28H26N2O5S/c1-4-13-34-19-8-6-7-18(15-19)24-23(25(31)21-12-9-16(3)35-21)26(32)27(33)30(24)28-29-20-11-10-17(5-2)14-22(20)36-28/h6-12,14-15,24,32H,4-5,13H2,1-3H3/p-1/t24-/m1/s1