7-oxidanylidene-2-(phenylmethyl)-4-thiophen-3-yl-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylic acid

Systemtic Name: 7-oxidanylidene-2-(phenylmethyl)-4-thiophen-3-yl-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylic acid Openeye Name: 2-benzyl-7-oxo-4-(3-thienyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylic acid CAS Name: 7-oxo-2-(phenylmethyl)-4-(3-thiophenyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylic acid IUPAC Name: 2-benzyl-7-oxo-4-thiophen-3-yl-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylic acid Traditional Name: 2-benzyl-7-keto-4-(3-thienyl)-1,3,4,5,6,7a-hexahydroisoindole-3a-carboxylic acid Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2CN(CC2(C1C3=CSC=C3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)C2CN(CC2(C1C3=CSC=C3)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C20H21NO3S/c22-18-7-6-16(15-8-9-25-12-15)20(19(23)24)13-21(11-17(18)20)10-14-4-2-1-3-5-14/h1-5,8-9,12,16-17H,6-7,10-11,13H2,(H,23,24)