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

Systemtic Name: propyl 2-[3-[(4-methoxyphenyl)amino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: propyl 2-[3-(4-methoxyanilino)-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 2-[3-(4-methoxyanilino)-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid propyl ester IUPAC Name: propyl 2-[3-(4-methoxyanilino)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]benzoate Traditional Name: 2-[2,5-diketo-3-(p-anisidino)-4-(phenylthio)-3-pyrrolin-1-yl]benzoic acid propyl ester Formula: C27H24N2O5S MolecularWeight: 488.55486

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O5S/c1-3-17-34-27(32)21-11-7-8-12-22(21)29-25(30)23(28-18-13-15-19(33-2)16-14-18)24(26(29)31)35-20-9-5-4-6-10-20/h4-16,28H,3,17H2,1-2H3