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

Systemtic Name: propan-2-yl 4-[3-[(4-iodophenyl)amino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: isopropyl 4-[3-(4-iodoanilino)-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(4-iodoanilino)-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-(4-iodoanilino)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]benzoate Traditional Name: 4-[3-(4-iodoanilino)-2,5-diketo-4-(phenylthio)-3-pyrrolin-1-yl]benzoic acid isopropyl ester Formula: C26H21IN2O4S MolecularWeight: 584.42541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21IN2O4S/c1-16(2)33-26(32)17-8-14-20(15-9-17)29-24(30)22(28-19-12-10-18(27)11-13-19)23(25(29)31)34-21-6-4-3-5-7-21/h3-16,28H,1-2H3