ethyl N-[2-(2,4-dinitrophenyl)sulfanyl-1,3-benzothiazol-6-yl]carbamate

Systemtic Name: ethyl N-[2-(2,4-dinitrophenyl)sulfanyl-1,3-benzothiazol-6-yl]carbamate Openeye Name: ethyl N-[2-(2,4-dinitrophenyl)sulfanyl-1,3-benzothiazol-6-yl]carbamate CAS Name: N-[2-[(2,4-dinitrophenyl)thio]-1,3-benzothiazol-6-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-(2,4-dinitrophenyl)sulfanyl-1,3-benzothiazol-6-yl]carbamate Traditional Name: N-[2-[(2,4-dinitrophenyl)thio]-1,3-benzothiazol-6-yl]carbamic acid ethyl ester Formula: C16H12N4O6S2 MolecularWeight: 420.41968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)N=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)N=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O6S2/c1-2-26-15(21)17-9-3-5-11-14(7-9)28-16(18-11)27-13-6-4-10(19(22)23)8-12(13)20(24)25/h3-8H,2H2,1H3,(H,17,21)