2-(1,3-thiazol-2-yl)propan-2-yl 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: 2-(1,3-thiazol-2-yl)propan-2-yl 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: (1-methyl-1-thiazol-2-yl-ethyl) 1-[2-(diisopropylamino)ethylcarbamoyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[[2-[di(propan-2-yl)amino]ethylamino]-oxomethyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 2-(2-thiazolyl)propan-2-yl ester IUPAC Name: 2-(1,3-thiazol-2-yl)propan-2-yl 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[2-(diisopropylamino)ethylcarbamoyl]-6-phenoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (1-methyl-1-thiazol-2-yl-ethyl) ester Formula: C31H40N4O4S MolecularWeight: 564.7387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC(=O)C1C2=C(CCN1C(=O)OC(C)(C)C3=NC=CS3)C=C(C=C2)OC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC(C)N(CCNC(=O)C1C2=C(CCN1C(=O)OC(C)(C)C3=NC=CS3)C=C(C=C2)OC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C31H40N4O4S/c1-21(2)34(22(3)4)18-15-32-28(36)27-26-13-12-25(38-24-10-8-7-9-11-24)20-23(26)14-17-35(27)30(37)39-31(5,6)29-33-16-19-40-29/h7-13,16,19-22,27H,14-15,17-18H2,1-6H3,(H,32,36)