methyl 2-[1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(1,3-benzoxazol-2-ylthio)acetyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C16H17N3O5S/c1-23-14(21)8-11-15(22)17-6-7-19(11)13(20)9-25-16-18-10-4-2-3-5-12(10)24-16/h2-5,11H,6-9H2,1H3,(H,17,22)