(Z)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-7-phenylsulfanyl-hept-2-enoic acid

Systemtic Name: (Z)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-7-phenylsulfanyl-hept-2-enoic acid Openeye Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-phenylsulfanyl-hept-2-enoic acid CAS Name: (Z)-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-7-(phenylthio)-2-heptenoic acid IUPAC Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-phenylsulfanylhept-2-enoic acid Traditional Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-(phenylthio)hept-2-enoic acid Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1C(=O)NC(=CCCCCSC2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CC1(CC1C(=O)N/C(=C\CCCCSC2=CC=CC=C2)/C(=O)O)C

InChI

InChI=1S/C19H25NO3S/c1-19(2)13-15(19)17(21)20-16(18(22)23)11-7-4-8-12-24-14-9-5-3-6-10-14/h3,5-6,9-11,15H,4,7-8,12-13H2,1-2H3,(H,20,21)(H,22,23)/b16-11-