7-(azepan-1-ylmethyl)-6-oxidanyl-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one

Systemtic Name: 7-(azepan-1-ylmethyl)-6-oxidanyl-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one Openeye Name: 7-(azepan-1-ylmethyl)-6-hydroxy-2-(2-thienylmethylene)benzofuran-3-one CAS Name: 7-(1-azepanylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylidene)-3-benzofuranone IUPAC Name: 7-(azepan-1-ylmethyl)-6-hydroxy-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one Traditional Name: 7-(azepan-1-ylmethyl)-6-hydroxy-2-(2-thenylidene)coumaran-3-one Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=CS4)C3=O)O

Isomeric SMILES

C1CCCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=CS4)C3=O)O

InChI

InChI=1S/C20H21NO3S/c22-17-8-7-15-19(23)18(12-14-6-5-11-25-14)24-20(15)16(17)13-21-9-3-1-2-4-10-21/h5-8,11-12,22H,1-4,9-10,13H2