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

Systemtic Name: 5-azanylidene-2-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-4-(1,3-thiazol-2-yl)thiolan-3-one Openeye Name: 2-[(3-ethoxy-4-isobutoxy-phenyl)methylene]-5-imino-4-thiazol-2-yl-tetrahydrothiophen-3-one CAS Name: 2-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-5-imino-4-(2-thiazolyl)-3-thiolanone IUPAC Name: 2-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-5-imino-4-(1,3-thiazol-2-yl)thiolan-3-one Traditional Name: 2-(3-ethoxy-4-isobutoxy-benzylidene)-5-imino-4-thiazol-2-yl-tetrahydrothiophen-3-one Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)C(C(=N)S2)C3=NC=CS3)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)C(C(=N)S2)C3=NC=CS3)OCC(C)C

InChI

InChI=1S/C20H22N2O3S2/c1-4-24-15-9-13(5-6-14(15)25-11-12(2)3)10-16-18(23)17(19(21)27-16)20-22-7-8-26-20/h5-10,12,17,21H,4,11H2,1-3H3