ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butanoyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,4-dioxobutyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butanoyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CCC(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCC(=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C20H23N3O4S/c1-3-27-19(26)18-13(2)21-20(28-18)22-16(24)8-9-17(25)23-11-10-14-6-4-5-7-15(14)12-23/h4-7H,3,8-12H2,1-2H3,(H,21,22,24)