5-azanylidene-2-[(3-methoxy-4-phenylmethoxy-phenyl)methylidene]-4-(1,3-thiazol-2-yl)thiolan-3-one

Systemtic Name: 5-azanylidene-2-[(3-methoxy-4-phenylmethoxy-phenyl)methylidene]-4-(1,3-thiazol-2-yl)thiolan-3-one Openeye Name: 2-[(4-benzyloxy-3-methoxy-phenyl)methylene]-5-imino-4-thiazol-2-yl-tetrahydrothiophen-3-one CAS Name: 5-imino-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-4-(2-thiazolyl)-3-thiolanone IUPAC Name: 5-imino-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-4-(1,3-thiazol-2-yl)thiolan-3-one Traditional Name: 2-(4-benzoxy-3-methoxy-benzylidene)-5-imino-4-thiazol-2-yl-tetrahydrothiophen-3-one Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)C(C(=N)S2)C3=NC=CS3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)C(C(=N)S2)C3=NC=CS3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O3S2/c1-26-17-11-15(7-8-16(17)27-13-14-5-3-2-4-6-14)12-18-20(25)19(21(23)29-18)22-24-9-10-28-22/h2-12,19,23H,13H2,1H3