3,3-dimethyl-5-oxidanylidene-5-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)amino]pentanoate

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)amino]pentanoate Openeye Name: 3,3-dimethyl-5-oxo-5-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)amino]pentanoate CAS Name: 3,3-dimethyl-5-oxo-5-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)amino]pentanoate IUPAC Name: 3,3-dimethyl-5-oxo-5-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)amino]pentanoate Traditional Name: 5-keto-5-[(4-keto-2-thioxo-1H-quinazolin-3-yl)amino]-3,3-dimethyl-valerate Formula: C15H16N3O4S- MolecularWeight: 334.37024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NN1C(=O)C2=CC=CC=C2NC1=S)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)NN1C(=O)C2=CC=CC=C2NC1=S)CC(=O)[O-]

InChI

InChI=1S/C15H17N3O4S/c1-15(2,8-12(20)21)7-11(19)17-18-13(22)9-5-3-4-6-10(9)16-14(18)23/h3-6H,7-8H2,1-2H3,(H,16,23)(H,17,19)(H,20,21)/p-1