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

Systemtic Name: 5-azanylidene-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methoxy-4-oxidanyl-5-prop-2-enyl-phenyl)methylidene]thiolan-3-one Openeye Name: 2-[(3-allyl-4-hydroxy-5-methoxy-phenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-tetrahydrothiophen-3-one CAS Name: 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-5-imino-3-thiolanone IUPAC Name: 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-5-iminothiolan-3-one Traditional Name: 2-(3-allyl-4-hydroxy-5-methoxy-benzylidene)-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-tetrahydrothiophen-3-one Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S2/c1-4-6-11-7-10(8-12(25-3)16(11)23)9-13-17(24)15(18(20)26-13)19-22-21-14(5-2)27-19/h4,7-9,15,20,23H,1,5-6H2,2-3H3