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

Systemtic Name: butyl 4-[2,5-bis(oxidanylidene)-3-phenylsulfanyl-4-[(4-propan-2-ylphenyl)amino]pyrrol-1-yl]benzoate Openeye Name: butyl 4-[3-(4-isopropylanilino)-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dioxo-3-(phenylthio)-4-(4-propan-2-ylanilino)-1-pyrrolyl]benzoic acid butyl ester IUPAC Name: butyl 4-[2,5-dioxo-3-phenylsulfanyl-4-(4-propan-2-ylanilino)pyrrol-1-yl]benzoate Traditional Name: 4-[3-cumidino-2,5-diketo-4-(phenylthio)-3-pyrrolin-1-yl]benzoic acid butyl ester Formula: C30H30N2O4S MolecularWeight: 514.6352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N2O4S/c1-4-5-19-36-30(35)22-13-17-24(18-14-22)32-28(33)26(31-23-15-11-21(12-16-23)20(2)3)27(29(32)34)37-25-9-7-6-8-10-25/h6-18,20,31H,4-5,19H2,1-3H3