methyl 4-[(4-bromanyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(4-bromanyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(4-bromo-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[(4-bromo-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-bromo-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[(4-bromo-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C16H11BrN2O3S MolecularWeight: 391.23914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=CC=C3Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=CC=C3Br

InChI

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