4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-7-methyl-6-oxidanyl-chromen-2-one

Systemtic Name: 4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-7-methyl-6-oxidanyl-chromen-2-one Openeye Name: 4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-6-hydroxy-7-methyl-chromen-2-one CAS Name: 4-[4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]-6-hydroxy-7-methyl-1-benzopyran-2-one IUPAC Name: 4-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-6-hydroxy-7-methylchromen-2-one Traditional Name: 4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-6-hydroxy-7-methyl-coumarin Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C3=CC(=O)OC4=CC(=C(C=C34)O)C)N5C=CC=C5)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C3=CC(=O)OC4=CC(=C(C=C34)O)C)N5C=CC=C5)C

InChI

InChI=1S/C23H18N2O3S/c1-12-9-18-15(10-17(12)26)16(11-19(27)28-18)22-21(25-6-4-5-7-25)20-13(2)8-14(3)24-23(20)29-22/h4-11,26H,1-3H3