ethyl 2-[(2-methyl-5-phenyl-1,3-thiazol-4-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(2-methyl-5-phenyl-1,3-thiazol-4-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(2-methyl-5-phenyl-thiazole-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(2-methyl-5-phenyl-4-thiazolyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-methyl-5-phenyl-thiazole-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(SC(=N3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(SC(=N3)C)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3S2/c1-3-27-20(26)14-9-10-15-16(11-14)29-21(23-15)24-19(25)17-18(28-12(2)22-17)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,23,24,25)