methyl 2-(2-piperazin-1-ylethylsulfanyl)-1,3-benzoxazole-7-carboxylate

Systemtic Name: methyl 2-(2-piperazin-1-ylethylsulfanyl)-1,3-benzoxazole-7-carboxylate Openeye Name: methyl 2-(2-piperazin-1-ylethylsulfanyl)-1,3-benzoxazole-7-carboxylate CAS Name: 2-[2-(1-piperazinyl)ethylthio]-1,3-benzoxazole-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-piperazin-1-ylethylsulfanyl)-1,3-benzoxazole-7-carboxylate Traditional Name: 2-(2-piperazinoethylthio)-1,3-benzoxazole-7-carboxylic acid methyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)N=C(O2)SCCN3CCNCC3

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)N=C(O2)SCCN3CCNCC3

InChI

InChI=1S/C15H19N3O3S/c1-20-14(19)11-3-2-4-12-13(11)21-15(17-12)22-10-9-18-7-5-16-6-8-18/h2-4,16H,5-10H2,1H3