ethyl 4-[3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC4=C(O3)C=CC(=C4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC4=C(O3)C=CC(=C4)C

InChI

InChI=1S/C23H25N3O4S/c1-3-29-23(28)26-11-9-25(10-12-26)21(27)18-6-4-5-17(14-18)15-31-22-24-19-13-16(2)7-8-20(19)30-22/h4-8,13-14H,3,9-12,15H2,1-2H3