methyl 2-[(4-bromophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(4-bromophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(4-bromobenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-bromobenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H11BrN2O3S MolecularWeight: 391.23914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H11BrN2O3S/c1-22-15(21)10-4-7-12-13(8-10)23-16(18-12)19-14(20)9-2-5-11(17)6-3-9/h2-8H,1H3,(H,18,19,20)