ethyl 4-(1,3-benzothiazol-2-yl)-2-[(4-bromophenyl)amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-(1,3-benzothiazol-2-yl)-2-[(4-bromophenyl)amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-(1,3-benzothiazol-2-yl)-2-(4-bromoanilino)thiazole-5-carboxylate CAS Name: 4-(1,3-benzothiazol-2-yl)-2-(4-bromoanilino)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzothiazol-2-yl)-2-(4-bromoanilino)-1,3-thiazole-5-carboxylate Traditional Name: 4-(1,3-benzothiazol-2-yl)-2-(4-bromoanilino)thiazole-5-carboxylic acid ethyl ester Formula: C19H14BrN3O2S2 MolecularWeight: 460.36736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H14BrN3O2S2/c1-2-25-18(24)16-15(17-22-13-5-3-4-6-14(13)26-17)23-19(27-16)21-12-9-7-11(20)8-10-12/h3-10H,2H2,1H3,(H,21,23)