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

Systemtic Name: 4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-6-ethyl-7-hydroxy-coumarin Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=C(C4=C(S3)N=C(C=C4C)C)N5C=CC=C5)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=C(C4=C(S3)N=C(C=C4C)C)N5C=CC=C5)O

InChI

InChI=1S/C24H20N2O3S/c1-4-15-10-16-17(11-20(28)29-19(16)12-18(15)27)23-22(26-7-5-6-8-26)21-13(2)9-14(3)25-24(21)30-23/h5-12,27H,4H2,1-3H3