5-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)pentanoate

Systemtic Name: 5-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)pentanoate Openeye Name: 5-(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)pentanoate CAS Name: 5-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)pentanoate IUPAC Name: 5-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)pentanoate Traditional Name: 5-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)valerate Formula: C17H21N2O5S- MolecularWeight: 365.42404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCCC(=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCCC(=O)[O-])OCC

InChI

InChI=1S/C17H22N2O5S/c1-3-23-13-9-11-12(10-14(13)24-4-2)18-17(25)19(16(11)22)8-6-5-7-15(20)21/h9-10H,3-8H2,1-2H3,(H,18,25)(H,20,21)/p-1