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

Systemtic Name: propyl 2-[3-[(2-ethoxyphenyl)amino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: propyl 2-[3-(2-ethoxyanilino)-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 2-[3-(2-ethoxyanilino)-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid propyl ester IUPAC Name: propyl 2-[3-(2-ethoxyanilino)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]benzoate Traditional Name: 2-[2,5-diketo-3-(o-phenetidino)-4-(phenylthio)-3-pyrrolin-1-yl]benzoic acid propyl ester Formula: C28H26N2O5S MolecularWeight: 502.58144

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=CC=C4OCC

Isomeric SMILES

CCCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=CC=C4OCC

InChI

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