5-[[1,3-bis(oxidanylidene)-5-(propylcarbamoyl)isoindol-2-yl]methyl]-2-(carboxycarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid

Systemtic Name: 5-[[1,3-bis(oxidanylidene)-5-(propylcarbamoyl)isoindol-2-yl]methyl]-2-(carboxycarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Openeye Name: 5-[[1,3-dioxo-5-(propylcarbamoyl)isoindolin-2-yl]methyl]-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid CAS Name: 5-[[1,3-dioxo-5-[oxo(propylamino)methyl]-2-isoindolyl]methyl]-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid IUPAC Name: 5-[[1,3-dioxo-5-(propylcarbamoyl)isoindol-2-yl]methyl]-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Traditional Name: 5-[[1,3-diketo-5-(propylcarbamoyl)isoindolin-2-yl]methyl]-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Formula: C23H21N3O9S MolecularWeight: 515.49254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3CC4=C(CO3)SC(=C4C(=O)O)NC(=O)C(=O)O

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3CC4=C(CO3)SC(=C4C(=O)O)NC(=O)C(=O)O

InChI

InChI=1S/C23H21N3O9S/c1-2-5-24-17(27)10-3-4-12-13(6-10)21(30)26(20(12)29)8-11-7-14-15(9-35-11)36-19(16(14)22(31)32)25-18(28)23(33)34/h3-4,6,11H,2,5,7-9H2,1H3,(H,24,27)(H,25,28)(H,31,32)(H,33,34)