6-morpholin-4-yl-2-[oxidanyl-(1,3-thiazol-3-ium-2-ylamino)methylidene]-4-phenyl-thieno[2,3-b]pyridin-3-one

Systemtic Name: 6-morpholin-4-yl-2-[oxidanyl-(1,3-thiazol-3-ium-2-ylamino)methylidene]-4-phenyl-thieno[2,3-b]pyridin-3-one Openeye Name: 2-[hydroxy-(thiazol-3-ium-2-ylamino)methylene]-6-morpholino-4-phenyl-thieno[2,3-b]pyridin-3-one CAS Name: 2-[hydroxy-(2-thiazol-3-iumylamino)methylidene]-6-(4-morpholinyl)-4-phenyl-3-thieno[2,3-b]pyridinone IUPAC Name: 2-[hydroxy-(1,3-thiazol-3-ium-2-ylamino)methylidene]-6-morpholin-4-yl-4-phenylthieno[2,3-b]pyridin-3-one Traditional Name: 2-[hydroxy-(thiazol-3-ium-2-ylamino)methylene]-6-morpholino-4-phenyl-thieno[2,3-b]pyridin-3-one Formula: C21H19N4O3S2+ MolecularWeight: 439.53056

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(C(=C2)C4=CC=CC=C4)C(=O)C(=C(NC5=[NH+]C=CS5)O)S3

Isomeric SMILES

C1COCCN1C2=NC3=C(C(=C2)C4=CC=CC=C4)C(=O)C(=C(NC5=[NH+]C=CS5)O)S3

InChI

InChI=1S/C21H18N4O3S2/c26-17-16-14(13-4-2-1-3-5-13)12-15(25-7-9-28-10-8-25)23-20(16)30-18(17)19(27)24-21-22-6-11-29-21/h1-6,11-12,27H,7-10H2,(H,22,24)/p+1