ethyl N-[2-[(3-methylsulfanylphenyl)-nitroso-amino]ethyl]carbamate

Systemtic Name: ethyl N-[2-[(3-methylsulfanylphenyl)-nitroso-amino]ethyl]carbamate Openeye Name: ethyl N-[2-(3-methylsulfanyl-N-nitroso-anilino)ethyl]carbamate CAS Name: N-[2-[3-(methylthio)-N-nitrosoanilino]ethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-(3-methylsulfanyl-N-nitrosoanilino)ethyl]carbamate Traditional Name: N-[2-[3-(methylthio)-N-nitroso-anilino]ethyl]carbamic acid ethyl ester Formula: C12H17N3O3S MolecularWeight: 283.34668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NCCN(C1=CC(=CC=C1)SC)N=O

Isomeric SMILES

CCOC(=O)NCCN(C1=CC(=CC=C1)SC)N=O

InChI

InChI=1S/C12H17N3O3S/c1-3-18-12(16)13-7-8-15(14-17)10-5-4-6-11(9-10)19-2/h4-6,9H,3,7-8H2,1-2H3,(H,13,16)