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

Systemtic Name: propan-2-yl 4-[3-[(4-iodanyl-2-methyl-phenyl)amino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C27H23IN2O4S MolecularWeight: 598.45199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC(C)C)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC(C)C)SC4=CC=CC=C4

InChI

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