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

Systemtic Name: propyl 4-[2,5-bis(oxidanylidene)-3-phenylazanyl-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: propyl 4-(3-anilino-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl)benzoate CAS Name: 4-[3-anilino-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid propyl ester IUPAC Name: propyl 4-(3-anilino-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl)benzoate Traditional Name: 4-[3-anilino-2,5-diketo-4-(phenylthio)-3-pyrrolin-1-yl]benzoic acid propyl ester Formula: C26H22N2O4S MolecularWeight: 458.52888

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H22N2O4S/c1-2-17-32-26(31)18-13-15-20(16-14-18)28-24(29)22(27-19-9-5-3-6-10-19)23(25(28)30)33-21-11-7-4-8-12-21/h3-16,27H,2,17H2,1H3