methyl 4-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[1-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[1-[5-[(2,4-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-hydroxy-5-keto-3-(7-methoxybenzofuran-2-carbonyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C31H21Cl2N3O7S2 MolecularWeight: 682.55034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC=C(C=C4)C(=O)OC)C5=NN=C(S5)SCC6=C(C=C(C=C6)Cl)Cl)O

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC=C(C=C4)C(=O)OC)C5=NN=C(S5)SCC6=C(C=C(C=C6)Cl)Cl)O

InChI

InChI=1S/C31H21Cl2N3O7S2/c1-41-21-5-3-4-17-12-22(43-27(17)21)25(37)23-24(15-6-8-16(9-7-15)29(40)42-2)36(28(39)26(23)38)30-34-35-31(45-30)44-14-18-10-11-19(32)13-20(18)33/h3-13,24,38H,14H2,1-2H3