ethyl 2-[2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C[C@@H]2C3=CC=CC=C3C=CN2C(=O)C)C

InChI

InChI=1S/C20H21N3O4S/c1-4-27-19(26)18-12(2)21-20(28-18)22-17(25)11-16-15-8-6-5-7-14(15)9-10-23(16)13(3)24/h5-10,16H,4,11H2,1-3H3,(H,21,22,25)/t16-/m1/s1