(2R)-4-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[4-oxo-4-(2-thienyl)butanoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-(1,4-dioxo-4-thiophen-2-ylbutyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-(4-oxo-4-thiophen-2-ylbutanoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[4-keto-4-(2-thienyl)butanoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C20H22N2O4S/c1-2-11-21-20(25)17-13-22(14-6-3-4-7-16(14)26-17)19(24)10-9-15(23)18-8-5-12-27-18/h3-8,12,17H,2,9-11,13H2,1H3,(H,21,25)/t17-/m1/s1