diethyl-[2-(7-methoxycarbonyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]azanium

Systemtic Name: diethyl-[2-(7-methoxycarbonyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]azanium Openeye Name: diethyl-[2-(7-methoxycarbonyl-4-oxo-2-thioxo-1H-quinazolin-3-yl)ethyl]ammonium CAS Name: diethyl-[2-(7-methoxycarbonyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]ammonium IUPAC Name: diethyl-[2-(7-methoxycarbonyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]azanium Traditional Name: 2-(7-carbomethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)ethyl-diethyl-ammonium Formula: C16H22N3O3S+ MolecularWeight: 336.42918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S

InChI

InChI=1S/C16H21N3O3S/c1-4-18(5-2)8-9-19-14(20)12-7-6-11(15(21)22-3)10-13(12)17-16(19)23/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,23)/p+1