methyl 3-[(4-azanyl-5-naphthalen-2-ylcarbonyl-1,3-thiazol-2-yl)amino]benzoate

Systemtic Name: methyl 3-[(4-azanyl-5-naphthalen-2-ylcarbonyl-1,3-thiazol-2-yl)amino]benzoate Openeye Name: methyl 3-[[4-amino-5-(naphthalene-2-carbonyl)thiazol-2-yl]amino]benzoate CAS Name: 3-[[4-amino-5-[2-naphthalenyl(oxo)methyl]-2-thiazolyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzoate Traditional Name: 3-[[4-amino-5-(2-naphthoyl)thiazol-2-yl]amino]benzoic acid methyl ester Formula: C22H17N3O3S MolecularWeight: 403.45368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=NC(=C(S2)C(=O)C3=CC4=CC=CC=C4C=C3)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=NC(=C(S2)C(=O)C3=CC4=CC=CC=C4C=C3)N

InChI

InChI=1S/C22H17N3O3S/c1-28-21(27)16-7-4-8-17(12-16)24-22-25-20(23)19(29-22)18(26)15-10-9-13-5-2-3-6-14(13)11-15/h2-12H,23H2,1H3,(H,24,25)