propan-2-yl 4-[3-(4-chlorophenyl)sulfanyl-2,5-bis(oxidanylidene)-4-phenylazanyl-pyrrol-1-yl]benzoate

Systemtic Name: propan-2-yl 4-[3-(4-chlorophenyl)sulfanyl-2,5-bis(oxidanylidene)-4-phenylazanyl-pyrrol-1-yl]benzoate Openeye Name: isopropyl 4-[3-anilino-4-(4-chlorophenyl)sulfanyl-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 4-[3-anilino-4-[(4-chlorophenyl)thio]-2,5-dioxo-1-pyrrolyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-anilino-4-(4-chlorophenyl)sulfanyl-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 4-[3-anilino-4-[(4-chlorophenyl)thio]-2,5-diketo-3-pyrrolin-1-yl]benzoic acid isopropyl ester Formula: C26H21ClN2O4S MolecularWeight: 492.97394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClN2O4S/c1-16(2)33-26(32)17-8-12-20(13-9-17)29-24(30)22(28-19-6-4-3-5-7-19)23(25(29)31)34-21-14-10-18(27)11-15-21/h3-16,28H,1-2H3