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

Systemtic Name: methyl 2-(3-piperazin-1-ylpropylsulfanyl)-1,3-benzoxazole-7-carboxylate Openeye Name: methyl 2-(3-piperazin-1-ylpropylsulfanyl)-1,3-benzoxazole-7-carboxylate CAS Name: 2-[3-(1-piperazinyl)propylthio]-1,3-benzoxazole-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-piperazin-1-ylpropylsulfanyl)-1,3-benzoxazole-7-carboxylate Traditional Name: 2-(3-piperazinopropylthio)-1,3-benzoxazole-7-carboxylic acid methyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)N=C(O2)SCCCN3CCNCC3

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)N=C(O2)SCCCN3CCNCC3

InChI

InChI=1S/C16H21N3O3S/c1-21-15(20)12-4-2-5-13-14(12)22-16(18-13)23-11-3-8-19-9-6-17-7-10-19/h2,4-5,17H,3,6-11H2,1H3