methyl (3R)-2-[2-[[4-azanyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[[4-azanyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[[4-amino-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CSC3=NN=C(N3N)C4=CC=CO4

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)CSC3=NN=C(N3N)C4=CC=CO4

InChI

InChI=1S/C19H19N5O4S/c1-27-18(26)14-9-12-5-2-3-6-13(12)10-23(14)16(25)11-29-19-22-21-17(24(19)20)15-7-4-8-28-15/h2-8,14H,9-11,20H2,1H3/t14-/m1/s1