7-[2-(2-benzamido-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-benzamido-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-benzamidothiazol-5-yl)ethoxy]-2-tert-butoxycarbonyl-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: 7-[2-(2-benzamido-5-thiazolyl)ethoxy]-3-methyl-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate IUPAC Name: 7-[2-(2-benzamido-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-benzamidothiazol-5-yl)ethoxy]-2-tert-butoxycarbonyl-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Formula: C28H30N3O6S- MolecularWeight: 536.6193

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C=C2)OCCC3=CN=C(S3)NC(=O)C4=CC=CC=C4)C(N1C(=O)OC(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1CC2=C(C=C(C=C2)OCCC3=CN=C(S3)NC(=O)C4=CC=CC=C4)C(N1C(=O)OC(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C28H31N3O6S/c1-17-14-19-10-11-20(15-22(19)23(25(33)34)31(17)27(35)37-28(2,3)4)36-13-12-21-16-29-26(38-21)30-24(32)18-8-6-5-7-9-18/h5-11,15-17,23H,12-14H2,1-4H3,(H,33,34)(H,29,30,32)/p-1