4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]quinazoline-7-carboxylate

Systemtic Name: 4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]quinazoline-7-carboxylate Openeye Name: 4-[[(3S)-1,1-dioxothiolan-3-yl]amino]quinazoline-7-carboxylate CAS Name: 4-[[(3S)-1,1-dioxo-3-thiolanyl]amino]-7-quinazolinecarboxylate IUPAC Name: 4-[[(3S)-1,1-dioxothiolan-3-yl]amino]quinazoline-7-carboxylate Traditional Name: 4-[[(3S)-1,1-diketothiolan-3-yl]amino]quinazoline-7-carboxylate Formula: C13H12N3O4S- MolecularWeight: 306.31708

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC2=NC=NC3=C2C=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC2=NC=NC3=C2C=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c17-13(18)8-1-2-10-11(5-8)14-7-15-12(10)16-9-3-4-21(19,20)6-9/h1-2,5,7,9H,3-4,6H2,(H,17,18)(H,14,15,16)/p-1/t9-/m0/s1