methyl 2-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(4-bromo-3-methoxy-naphthalene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-bromo-3-methoxy-2-naphthalenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-bromo-3-methoxy-2-naphthoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H15BrN2O4S MolecularWeight: 471.3238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)OC)Br

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)OC)Br

InChI

InChI=1S/C21H15BrN2O4S/c1-27-18-14(9-11-5-3-4-6-13(11)17(18)22)19(25)24-21-23-15-8-7-12(20(26)28-2)10-16(15)29-21/h3-10H,1-2H3,(H,23,24,25)