tert-butyl 2-[6-[2-(4-carbamothioylphenyl)ethoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-[2-(4-carbamothioylphenyl)ethoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-[2-(4-carbamothioylphenyl)ethoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[6-[2-(4-carbamothioylphenyl)ethoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[2-(4-carbamothioylphenyl)ethoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[1-keto-6-[2-(4-thiocarbamoylphenyl)ethoxy]-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)OCCC3=CC=C(C=C3)C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)OCCC3=CC=C(C=C3)C(=S)N

InChI

InChI=1S/C24H28N2O4S/c1-24(2,3)30-21(27)15-26-12-10-18-14-19(8-9-20(18)23(26)28)29-13-11-16-4-6-17(7-5-16)22(25)31/h4-9,14H,10-13,15H2,1-3H3,(H2,25,31)