(4S)-4-oxidanyl-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-4-carboxylic acid

Systemtic Name: (4S)-4-oxidanyl-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-4-carboxylic acid Openeye Name: (4S)-3-benzyl-4-hydroxy-2-thioxo-1H-quinazoline-4-carboxylic acid CAS Name: (4S)-4-hydroxy-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-4-carboxylic acid IUPAC Name: (4S)-3-benzyl-4-hydroxy-2-sulfanylidene-1H-quinazoline-4-carboxylic acid Traditional Name: (4S)-3-benzyl-4-hydroxy-2-thioxo-1H-quinazoline-4-carboxylic acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=S)NC3=CC=CC=C3C2(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=S)NC3=CC=CC=C3[C@@]2(C(=O)O)O

InChI

InChI=1S/C16H14N2O3S/c19-14(20)16(21)12-8-4-5-9-13(12)17-15(22)18(16)10-11-6-2-1-3-7-11/h1-9,21H,10H2,(H,17,22)(H,19,20)/t16-/m0/s1