1-(1,3-benzodioxol-5-yl)-N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-(6-chlorothiochroman-4-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-(6-chlorothiochroman-4-yl)-5-keto-pyrrolidine-3-carboxamide Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCO5)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCO5)C=C(C=C2)Cl

InChI

InChI=1S/C21H19ClN2O4S/c22-13-1-4-19-15(8-13)16(5-6-29-19)23-21(26)12-7-20(25)24(10-12)14-2-3-17-18(9-14)28-11-27-17/h1-4,8-9,12,16H,5-7,10-11H2,(H,23,26)