2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]thio]acetamide IUPAC Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-5-keto-4,6,7,8-tetrahydro-1H-quinolin-2-yl]thio]acetamide Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2)SCC(=O)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2)SCC(=O)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)C1

InChI

InChI=1S/C19H17N3O4S/c20-7-11-17(10-4-5-14-15(6-10)26-9-25-14)18-12(2-1-3-13(18)23)22-19(11)27-8-16(21)24/h4-6,17,22H,1-3,8-9H2,(H2,21,24)