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

Systemtic Name: ethyl 2-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H17BrN2O4S MolecularWeight: 485.35038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=CC=CC=C4C(=C3OC)Br

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=CC=CC=C4C(=C3OC)Br

InChI

InChI=1S/C22H17BrN2O4S/c1-3-29-21(27)13-8-9-16-17(11-13)30-22(24-16)25-20(26)15-10-12-6-4-5-7-14(12)18(23)19(15)28-2/h4-11H,3H2,1-2H3,(H,24,25,26)