3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(3-methoxy-4-propargyloxy-benzylidene)thiazolidine-2,4-quinone Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCCCC3)OCC#C

InChI

InChI=1S/C22H24N2O5S/c1-3-12-29-17-9-8-16(13-18(17)28-2)14-19-21(26)24(22(27)30-19)15-20(25)23-10-6-4-5-7-11-23/h1,8-9,13-14H,4-7,10-12,15H2,2H3