propan-2-yl 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate

Systemtic Name: propan-2-yl 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: isopropyl 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]benzoate Traditional Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-diketo-4-(phenylthio)-3-pyrrolin-1-yl]benzoic acid isopropyl ester Formula: C29H26N2O4S MolecularWeight: 498.59274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C29H26N2O4S/c1-19(2)35-29(34)21-12-14-23(15-13-21)31-27(32)25(26(28(31)33)36-24-10-4-3-5-11-24)30-17-16-20-8-6-7-9-22(20)18-30/h3-15,19H,16-18H2,1-2H3