3-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoate

Systemtic Name: 3-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoate Openeye Name: 3-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoate CAS Name: 3-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanoate IUPAC Name: 3-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoate Traditional Name: 3-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]propionate Formula: C18H15N2O3S2- MolecularWeight: 371.4533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCCC(=O)[O-])SC=C2C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCCC(=O)[O-])SC=C2C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O3S2/c1-2-9-20-17(23)15-13(12-6-4-3-5-7-12)11-25-16(15)19-18(20)24-10-8-14(21)22/h2-7,11H,1,8-10H2,(H,21,22)/p-1