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

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxamide Openeye Name: 1-benzyl-N-(6-chlorothiochroman-4-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-benzyl-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-benzyl-N-(6-chlorothiochroman-4-yl)-5-keto-pyrrolidine-3-carboxamide Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4)C=C(C=C2)Cl

InChI

InChI=1S/C21H21ClN2O2S/c22-16-6-7-19-17(11-16)18(8-9-27-19)23-21(26)15-10-20(25)24(13-15)12-14-4-2-1-3-5-14/h1-7,11,15,18H,8-10,12-13H2,(H,23,26)