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

Systemtic Name: propyl 2-[2,5-bis(oxidanylidene)-3-phenylsulfanyl-4-[(4-propan-2-ylphenyl)amino]pyrrol-1-yl]benzoate Openeye Name: propyl 2-[3-(4-isopropylanilino)-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 2-[2,5-dioxo-3-(phenylthio)-4-(4-propan-2-ylanilino)-1-pyrrolyl]benzoic acid propyl ester IUPAC Name: propyl 2-[2,5-dioxo-3-phenylsulfanyl-4-(4-propan-2-ylanilino)pyrrol-1-yl]benzoate Traditional Name: 2-[3-cumidino-2,5-diketo-4-(phenylthio)-3-pyrrolin-1-yl]benzoic acid propyl ester Formula: C29H28N2O4S MolecularWeight: 500.60862

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C29H28N2O4S/c1-4-18-35-29(34)23-12-8-9-13-24(23)31-27(32)25(30-21-16-14-20(15-17-21)19(2)3)26(28(31)33)36-22-10-6-5-7-11-22/h5-17,19,30H,4,18H2,1-3H3