methyl 2-[[1-(5-bromanyl-6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-(5-bromanyl-6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate CAS Name: 2-[[[1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C23H24BrN3O4S MolecularWeight: 518.42336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)OC)Br

Isomeric SMILES

CCOC1=C(C=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)OC)Br

InChI

InChI=1S/C23H24BrN3O4S/c1-3-31-19-13-20-18(12-16(19)24)26-23(32-20)27-10-8-14(9-11-27)21(28)25-17-7-5-4-6-15(17)22(29)30-2/h4-7,12-14H,3,8-11H2,1-2H3,(H,25,28)