ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)butanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-(1,3-benzoxazol-2-ylthio)-1-oxobutyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-(1,3-benzoxazol-2-ylthio)butanoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H19N3O4S2/c1-4-13(26-18-20-11-8-6-7-9-12(11)25-18)15(22)21-17-19-10(3)14(27-17)16(23)24-5-2/h6-9,13H,4-5H2,1-3H3,(H,19,21,22)