2-[(3-chloranyl-5-oxidanylidene-1,2-dithiol-4-yl)-propan-2-yl-amino]ethyl methanoate

Systemtic Name: 2-[(3-chloranyl-5-oxidanylidene-1,2-dithiol-4-yl)-propan-2-yl-amino]ethyl methanoate Openeye Name: 2-[(3-chloro-5-oxo-dithiol-4-yl)-isopropyl-amino]ethyl formate CAS Name: formic acid 2-[(3-chloro-5-oxo-4-dithiolyl)-propan-2-ylamino]ethyl ester IUPAC Name: 2-[(3-chloro-5-oxodithiol-4-yl)-propan-2-ylamino]ethyl formate Traditional Name: formic acid 2-[(3-chloro-5-keto-dithiol-4-yl)-isopropyl-amino]ethyl ester Formula: C9H12ClNO3S2 MolecularWeight: 281.77948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCOC=O)C1=C(SSC1=O)Cl

Isomeric SMILES

CC(C)N(CCOC=O)C1=C(SSC1=O)Cl

InChI

InChI=1S/C9H12ClNO3S2/c1-6(2)11(3-4-14-5-12)7-8(10)15-16-9(7)13/h5-6H,3-4H2,1-2H3