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

Systemtic Name: tert-butyl 2-[6-[(3-carbamothioylphenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-[(3-carbamothioylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[6-[(3-carbamothioylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[(3-carbamothioylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[1-keto-6-(3-thiocarbamoylbenzyl)oxy-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=CC(=C3)C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=CC(=C3)C(=S)N

InChI

InChI=1S/C23H26N2O4S/c1-23(2,3)29-20(26)13-25-10-9-16-12-18(7-8-19(16)22(25)27)28-14-15-5-4-6-17(11-15)21(24)30/h4-8,11-12H,9-10,13-14H2,1-3H3,(H2,24,30)