ethyl 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)C2=CC3=C(C=C2)C(=O)N(C(=C3C4=CC=CC=C4)CN)CC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)C2=CC3=C(C=C2)C(=O)N(C(=C3C4=CC=CC=C4)CN)CC(C)C)C

InChI

InChI=1S/C27H29N3O3S/c1-5-33-27(32)24-17(4)29-25(34-24)19-11-12-20-21(13-19)23(18-9-7-6-8-10-18)22(14-28)30(26(20)31)15-16(2)3/h6-13,16H,5,14-15,28H2,1-4H3