3-[[5-(4-chlorophenyl)-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate

Systemtic Name: 3-[[5-(4-chlorophenyl)-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(4-chlorophenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-(4-chlorophenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propanoate IUPAC Name: 3-[[5-(4-chlorophenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(4-chlorophenyl)-4-keto-6-methyl-3H-thieno[2,3-d]pyrimidin-2-yl]thio]propionate Formula: C16H12ClN2O3S2- MolecularWeight: 379.86108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCCC(=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCCC(=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN2O3S2/c1-8-12(9-2-4-10(17)5-3-9)13-14(22)18-16(19-15(13)24-8)23-7-6-11(20)21/h2-5H,6-7H2,1H3,(H,20,21)(H,18,19,22)/p-1