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

Systemtic Name: 2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]ethanamide Openeye Name: 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-thienylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(thiophen-2-ylmethylthio)ethyl]acetamide IUPAC Name: 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide Traditional Name: 2-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[2-(2-thenylthio)ethyl]acetamide Formula: C16H15N3O5S2 MolecularWeight: 393.4374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5S2/c20-15(17-5-7-25-10-12-2-1-6-26-12)9-18-13-4-3-11(19(22)23)8-14(13)24-16(18)21/h1-4,6,8H,5,7,9-10H2,(H,17,20)