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

Systemtic Name: propyl 4-[3-(naphthalen-1-ylamino)-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: propyl 4-[3-(1-naphthylamino)-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(1-naphthalenylamino)-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid propyl ester IUPAC Name: propyl 4-[3-(naphthalen-1-ylamino)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(1-naphthylamino)-4-(phenylthio)-3-pyrrolin-1-yl]benzoic acid propyl ester Formula: C30H24N2O4S MolecularWeight: 508.58756

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H24N2O4S/c1-2-19-36-30(35)21-15-17-22(18-16-21)32-28(33)26(27(29(32)34)37-23-11-4-3-5-12-23)31-25-14-8-10-20-9-6-7-13-24(20)25/h3-18,31H,2,19H2,1H3