(2Z)-4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-oxidanylidene-2-(3H-thiophen-2-ylidene)butanoic acid

Systemtic Name: (2Z)-4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-oxidanylidene-2-(3H-thiophen-2-ylidene)butanoic acid Openeye Name: (2Z)-4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-oxo-2-(3H-thiophen-2-ylidene)butanoic acid CAS Name: (2Z)-4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-oxo-2-(3H-thiophen-2-ylidene)butanoic acid IUPAC Name: (2Z)-4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-oxo-2-(3H-thiophen-2-ylidene)butanoic acid Traditional Name: (2Z)-4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-keto-2-(3H-thiophen-2-ylidene)butyric acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CC2C1)C(=O)CC(=C3CC=CS3)C(=O)O

Isomeric SMILES

C1CCC2CN(CC2C1)C(=O)C/C(=C/3\CC=CS3)/C(=O)O

InChI

InChI=1S/C16H21NO3S/c18-15(8-13(16(19)20)14-6-3-7-21-14)17-9-11-4-1-2-5-12(11)10-17/h3,7,11-12H,1-2,4-6,8-10H2,(H,19,20)/b14-13-