4-oxidanylidene-2-[(3S)-2-oxidanylideneoxolan-3-yl]sulfanyl-3-prop-2-enyl-quinazoline-7-carboxylic acid

Systemtic Name: 4-oxidanylidene-2-[(3S)-2-oxidanylideneoxolan-3-yl]sulfanyl-3-prop-2-enyl-quinazoline-7-carboxylic acid Openeye Name: 3-allyl-4-oxo-2-[(3S)-2-oxotetrahydrofuran-3-yl]sulfanyl-quinazoline-7-carboxylic acid CAS Name: 4-oxo-2-[[(3S)-2-oxo-3-oxolanyl]thio]-3-prop-2-enyl-7-quinazolinecarboxylic acid IUPAC Name: 4-oxo-2-[(3S)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazoline-7-carboxylic acid Traditional Name: 3-allyl-4-keto-2-[[(3S)-2-ketotetrahydrofuran-3-yl]thio]quinazoline-7-carboxylic acid Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SC3CCOC3=O

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1S[C@H]3CCOC3=O

InChI

InChI=1S/C16H14N2O5S/c1-2-6-18-13(19)10-4-3-9(14(20)21)8-11(10)17-16(18)24-12-5-7-23-15(12)22/h2-4,8,12H,1,5-7H2,(H,20,21)/t12-/m0/s1