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

Systemtic Name: propyl 4-[3-[(4-ethoxyphenyl)amino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: propyl 4-[3-(4-ethoxyanilino)-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(4-ethoxyanilino)-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid propyl ester IUPAC Name: propyl 4-[3-(4-ethoxyanilino)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(phenylthio)-4-(p-phenetidino)-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=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=C(C=C4)OCC

Isomeric SMILES

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

InChI

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