5-azanylidene-2-[(3-ethoxy-4-oxidanyl-5-prop-2-enyl-phenyl)methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)thiolan-3-one

Systemtic Name: 5-azanylidene-2-[(3-ethoxy-4-oxidanyl-5-prop-2-enyl-phenyl)methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)thiolan-3-one Openeye Name: 2-[(3-allyl-5-ethoxy-4-hydroxy-phenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-tetrahydrothiophen-3-one CAS Name: 2-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-thiolanone IUPAC Name: 2-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-iminothiolan-3-one Traditional Name: 2-(3-allyl-5-ethoxy-4-hydroxy-benzylidene)-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-tetrahydrothiophen-3-one Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)C2C(=O)C(=CC3=CC(=C(C(=C3)OCC)O)CC=C)SC2=N

Isomeric SMILES

CCC1=NN=C(S1)C2C(=O)C(=CC3=CC(=C(C(=C3)OCC)O)CC=C)SC2=N

InChI

InChI=1S/C20H21N3O3S2/c1-4-7-12-8-11(9-13(17(12)24)26-6-3)10-14-18(25)16(19(21)27-14)20-23-22-15(5-2)28-20/h4,8-10,16,21,24H,1,5-7H2,2-3H3