methyl 2-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate

Systemtic Name: methyl 2-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate Openeye Name: methyl 2-[[4-(thiadiazol-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate CAS Name: 2-[[4-(4-thiadiazolyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(thiadiazol-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate Traditional Name: 2-[4-(thiadiazol-4-yl)benzyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid methyl ester Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CN(CC2)CC3=CC=C(C=C3)C4=CSN=N4)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CN(CC2)CC3=CC=C(C=C3)C4=CSN=N4)C=C1

InChI

InChI=1S/C20H19N3O2S/c1-25-20(24)17-6-7-18-12-23(9-8-16(18)10-17)11-14-2-4-15(5-3-14)19-13-26-22-21-19/h2-7,10,13H,8-9,11-12H2,1H3