3-[2-[1-[(4-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]propanoate

Systemtic Name: 3-[2-[1-[(4-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]propanoate Openeye Name: 3-[2-[1-[(4-chlorophenyl)carbamoyl]propylsulfanyl]-4-oxo-thieno[3,2-d]pyrimidin-3-yl]propanoate CAS Name: 3-[2-[[1-(4-chloroanilino)-1-oxobutan-2-yl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]propanoate IUPAC Name: 3-[2-[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[2-[1-[(4-chlorophenyl)carbamoyl]propylthio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]propionate Formula: C19H17ClN3O4S2- MolecularWeight: 450.93898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)Cl)SC2=NC3=C(C(=O)N2CCC(=O)[O-])SC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)Cl)SC2=NC3=C(C(=O)N2CCC(=O)[O-])SC=C3

InChI

InChI=1S/C19H18ClN3O4S2/c1-2-14(17(26)21-12-5-3-11(20)4-6-12)29-19-22-13-8-10-28-16(13)18(27)23(19)9-7-15(24)25/h3-6,8,10,14H,2,7,9H2,1H3,(H,21,26)(H,24,25)/p-1