4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5-(4-chlorophenyl)-4-thieno[2,3-d]pyrimidinyl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]thio]methyl]-7-methyl-coumarin Formula: C23H15ClN2O2S2 MolecularWeight: 450.9604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NC4=C3C(=CS4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NC4=C3C(=CS4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H15ClN2O2S2/c1-13-2-7-17-15(9-20(27)28-19(17)8-13)10-29-22-21-18(11-30-23(21)26-12-25-22)14-3-5-16(24)6-4-14/h2-9,11-12H,10H2,1H3