ethyl 2-[1,3-benzothiazol-6-ylcarbonyl(phenethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[1,3-benzothiazol-6-ylcarbonyl(phenethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[1,3-benzothiazole-6-carbonyl(phenethyl)amino]-5-methyl-thiazole-4-carboxylate CAS Name: 2-[[1,3-benzothiazol-6-yl(oxo)methyl]-phenethylamino]-5-methyl-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1,3-benzothiazole-6-carbonyl(phenethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate Traditional Name: 2-[1,3-benzothiazole-6-carbonyl(phenethyl)amino]-5-methyl-thiazole-4-carboxylic acid ethyl ester Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N=CS4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N=CS4)C

InChI

InChI=1S/C23H21N3O3S2/c1-3-29-22(28)20-15(2)31-23(25-20)26(12-11-16-7-5-4-6-8-16)21(27)17-9-10-18-19(13-17)30-14-24-18/h4-10,13-14H,3,11-12H2,1-2H3