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2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

Systemtic Name:2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide
Openeye Name:N-(2-benzylsulfanylethyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CAS Name:2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(phenylmethylthio)ethyl]acetamide
IUPAC Name:N-(2-benzylsulfanylethyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
Traditional Name:N-[2-(benzylthio)ethyl]-2-(2-keto-6-nitro-1,3-benzoxazol-3-yl)acetamide
Formula: C18H17N3O5S
MolecularWeight: 387.40968
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O


Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O


InChI

InChI=1S/C18H17N3O5S/c22-17(19-8-9-27-12-13-4-2-1-3-5-13)11-20-15-7-6-14(21(24)25)10-16(15)26-18(20)23/h1-7,10H,8-9,11-12H2,(H,19,22)


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