N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide

Systemtic Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide Openeye Name: N-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl]-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide CAS Name: N-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl]-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzamide IUPAC Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide Traditional Name: N-[(5-ethoxy-2-methyl-coumaran-6-yl)methyl]-2-[(2-keto-2-pyrrolidino-ethyl)thio]benzamide Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

InChI

InChI=1S/C25H30N2O4S/c1-3-30-21-13-18-12-17(2)31-22(18)14-19(21)15-26-25(29)20-8-4-5-9-23(20)32-16-24(28)27-10-6-7-11-27/h4-5,8-9,13-14,17H,3,6-7,10-12,15-16H2,1-2H3,(H,26,29)