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

Systemtic Name: propan-2-yl 4-[3-[(4-ethoxyphenyl)amino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: isopropyl 4-[3-(4-ethoxyanilino)-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(4-ethoxyanilino)-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-(4-ethoxyanilino)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(phenylthio)-4-(p-phenetidino)-3-pyrrolin-1-yl]benzoic acid isopropyl ester Formula: C28H26N2O5S MolecularWeight: 502.58144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC(C)C)SC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC(C)C)SC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O5S/c1-4-34-22-16-12-20(13-17-22)29-24-25(36-23-8-6-5-7-9-23)27(32)30(26(24)31)21-14-10-19(11-15-21)28(33)35-18(2)3/h5-18,29H,4H2,1-3H3