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

Systemtic Name: 6-chloranyl-4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-7-hydroxy-chromen-2-one CAS Name: 6-chloro-4-[4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 6-chloro-4-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-7-hydroxychromen-2-one Traditional Name: 6-chloro-4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-7-hydroxy-coumarin Formula: C22H15ClN2O3S MolecularWeight: 422.8841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClN2O3S/c1-11-7-12(2)24-22-19(11)20(25-5-3-4-6-25)21(29-22)14-9-18(27)28-17-10-16(26)15(23)8-13(14)17/h3-10,26H,1-2H3