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

Systemtic Name: propyl 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C29H26N2O4S MolecularWeight: 498.59274

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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)N4CCC5=CC=CC=C5C4

Isomeric SMILES

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

InChI

InChI=1S/C29H26N2O4S/c1-2-18-35-29(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)19-30/h3-15H,2,16-19H2,1H3