methyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-5-keto-3-(5-methyl-2-furoyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C27H22N2O7S MolecularWeight: 518.53778

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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=C(C=C5)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O7S/c1-4-35-17-10-11-18-20(13-17)37-27(28-18)29-22(15-6-8-16(9-7-15)26(33)34-3)21(24(31)25(29)32)23(30)19-12-5-14(2)36-19/h5-13,22,31H,4H2,1-3H3