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

Systemtic Name: methyl 4-[3-(1-benzofuran-2-ylcarbonyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[3-(benzofuran-2-carbonyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[3-[2-benzofuranyl(oxo)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-benzofuran-2-carbonyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[3-(benzofuran-2-carbonyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-5-keto-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C30H22N2O7S MolecularWeight: 554.56988

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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=CC5=CC=CC=C5O4)C6=CC=C(C=C6)C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC=C(C=C6)C(=O)OC

InChI

InChI=1S/C30H22N2O7S/c1-3-38-19-12-13-20-23(15-19)40-30(31-20)32-25(16-8-10-17(11-9-16)29(36)37-2)24(27(34)28(32)35)26(33)22-14-18-6-4-5-7-21(18)39-22/h4-15,25,34H,3H2,1-2H3