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

Systemtic Name: propyl 4-[[1-(4-butylphenyl)-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-3-yl]amino]benzoate Openeye Name: propyl 4-[[1-(4-butylphenyl)-2,5-dioxo-4-phenylsulfanyl-pyrrol-3-yl]amino]benzoate CAS Name: 4-[[1-(4-butylphenyl)-2,5-dioxo-4-(phenylthio)-3-pyrrolyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[1-(4-butylphenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-3-yl]amino]benzoate Traditional Name: 4-[[1-(4-butylphenyl)-2,5-diketo-4-(phenylthio)-3-pyrrolin-3-yl]amino]benzoic acid propyl ester Formula: C30H30N2O4S MolecularWeight: 514.6352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)OCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)OCCC

InChI

InChI=1S/C30H30N2O4S/c1-3-5-9-21-12-18-24(19-13-21)32-28(33)26(27(29(32)34)37-25-10-7-6-8-11-25)31-23-16-14-22(15-17-23)30(35)36-20-4-2/h6-8,10-19,31H,3-5,9,20H2,1-2H3