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

Systemtic Name: butyl 4-[3-[(2-methoxyphenyl)amino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: butyl 4-[3-(2-methoxyanilino)-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(2-methoxyanilino)-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(2-methoxyanilino)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(o-anisidino)-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=CC=CC=C4OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=CC=C4OC

InChI

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