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

Systemtic Name: propyl 4-[3-[(4-iodanyl-2-methyl-phenyl)amino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: propyl 4-[3-(4-iodo-2-methyl-anilino)-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(4-iodo-2-methylanilino)-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid propyl ester IUPAC Name: propyl 4-[3-(4-iodo-2-methylanilino)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]benzoate Traditional Name: 4-[3-(4-iodo-2-methyl-anilino)-2,5-diketo-4-(phenylthio)-3-pyrrolin-1-yl]benzoic acid propyl ester Formula: C27H23IN2O4S MolecularWeight: 598.45199

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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=C(C=C(C=C4)I)C

Isomeric SMILES

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

InChI

InChI=1S/C27H23IN2O4S/c1-3-15-34-27(33)18-9-12-20(13-10-18)30-25(31)23(29-22-14-11-19(28)16-17(22)2)24(26(30)32)35-21-7-5-4-6-8-21/h4-14,16,29H,3,15H2,1-2H3