butyl 4-[3-[(5-methyl-2-oxidanyl-phenyl)amino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate

Systemtic Name: butyl 4-[3-[(5-methyl-2-oxidanyl-phenyl)amino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: butyl 4-[3-(2-hydroxy-5-methyl-anilino)-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(2-hydroxy-5-methylanilino)-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(2-hydroxy-5-methylanilino)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]benzoate Traditional Name: 4-[3-(2-hydroxy-5-methyl-anilino)-2,5-diketo-4-(phenylthio)-3-pyrrolin-1-yl]benzoic acid butyl ester Formula: C28H26N2O5S MolecularWeight: 502.58144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=C(C=CC(=C4)C)O

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=C(C=CC(=C4)C)O

InChI

InChI=1S/C28H26N2O5S/c1-3-4-16-35-28(34)19-11-13-20(14-12-19)30-26(32)24(29-22-17-18(2)10-15-23(22)31)25(27(30)33)36-21-8-6-5-7-9-21/h5-15,17,29,31H,3-4,16H2,1-2H3