methyl 2-[(3-bromanyl-4-ethoxy-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(3-bromanyl-4-ethoxy-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(3-bromo-4-ethoxy-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-bromo-4-ethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-bromo-4-ethoxy-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H15BrN2O4S MolecularWeight: 435.2917

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)Br

InChI

InChI=1S/C18H15BrN2O4S/c1-3-25-14-7-5-10(8-12(14)19)16(22)21-18-20-13-6-4-11(17(23)24-2)9-15(13)26-18/h4-9H,3H2,1-2H3,(H,20,21,22)