2-[(Z)-6-[(2,2-dimethylcyclopropyl)carbonylamino]-7-oxidanyl-7-oxidanylidene-hept-5-enyl]sulfanylbenzoic acid

Systemtic Name: 2-[(Z)-6-[(2,2-dimethylcyclopropyl)carbonylamino]-7-oxidanyl-7-oxidanylidene-hept-5-enyl]sulfanylbenzoic acid Openeye Name: 2-[(Z)-6-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-hydroxy-7-oxo-hept-5-enyl]sulfanylbenzoic acid CAS Name: 2-[[(Z)-6-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-7-hydroxy-7-oxohept-5-enyl]thio]benzoic acid IUPAC Name: 2-[(Z)-6-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-hydroxy-7-oxohept-5-enyl]sulfanylbenzoic acid Traditional Name: 2-[[(Z)-6-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-hydroxy-7-keto-hept-5-enyl]thio]benzoic acid Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1C(=O)NC(=CCCCCSC2=CC=CC=C2C(=O)O)C(=O)O)C

Isomeric SMILES

CC1(CC1C(=O)N/C(=C\CCCCSC2=CC=CC=C2C(=O)O)/C(=O)O)C

InChI

InChI=1S/C20H25NO5S/c1-20(2)12-14(20)17(22)21-15(19(25)26)9-4-3-7-11-27-16-10-6-5-8-13(16)18(23)24/h5-6,8-10,14H,3-4,7,11-12H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)/b15-9-