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

Systemtic Name: propyl 2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: propyl 2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid propyl ester IUPAC Name: propyl 2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]benzoate Traditional Name: 2-[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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCC5=CC=CC=C5C4

InChI

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