(2S)-2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate

Systemtic Name: (2S)-2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate Openeye Name: (2S)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate CAS Name: (2S)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]butanoate IUPAC Name: (2S)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate Traditional Name: (2S)-2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]butyrate Formula: C16H13N2O3S2- MolecularWeight: 345.41602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CC[C@@H](C(=O)[O-])SC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C16H14N2O3S2/c1-2-11(15(20)21)23-16-17-13(19)12-10(8-22-14(12)18-16)9-6-4-3-5-7-9/h3-8,11H,2H2,1H3,(H,20,21)(H,17,18,19)/p-1/t11-/m0/s1