butyl 2-[(5-bromanylnaphthalen-1-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[(5-bromanylnaphthalen-1-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(5-bromonaphthalene-1-carbonyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(5-bromonaphthalene-1-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(5-bromo-1-naphthoyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C23H19BrN2O3S MolecularWeight: 483.37756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC4=C3C=CC=C4Br

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC4=C3C=CC=C4Br

InChI

InChI=1S/C23H19BrN2O3S/c1-2-3-12-29-22(28)14-10-11-19-20(13-14)30-23(25-19)26-21(27)17-8-4-7-16-15(17)6-5-9-18(16)24/h4-11,13H,2-3,12H2,1H3,(H,25,26,27)