7-[2-(2-azanyl-1,3-thiazol-5-yl)ethoxy]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate

Systemtic Name: 7-[2-(2-azanyl-1,3-thiazol-5-yl)ethoxy]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: 7-[2-(2-aminothiazol-5-yl)ethoxy]-2-tert-butoxycarbonyl-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: 7-[2-(2-amino-5-thiazolyl)ethoxy]-3-methyl-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate IUPAC Name: 7-[2-(2-amino-1,3-thiazol-5-yl)ethoxy]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: 7-[2-(2-aminothiazol-5-yl)ethoxy]-2-tert-butoxycarbonyl-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Formula: C21H26N3O5S- MolecularWeight: 432.51324

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C=C2)OCCC3=CN=C(S3)N)C(N1C(=O)OC(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1CC2=C(C=C(C=C2)OCCC3=CN=C(S3)N)C(N1C(=O)OC(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C21H27N3O5S/c1-12-9-13-5-6-14(28-8-7-15-11-23-19(22)30-15)10-16(13)17(18(25)26)24(12)20(27)29-21(2,3)4/h5-6,10-12,17H,7-9H2,1-4H3,(H2,22,23)(H,25,26)/p-1