2-[(7-ethanoylazaniumylidene-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methylsulfanyl]benzoate

Systemtic Name: 2-[(7-ethanoylazaniumylidene-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methylsulfanyl]benzoate Openeye Name: 2-[(7-acetyliminio-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(7-acetyliminio-2-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-4-yl)methylthio]benzoate IUPAC Name: 2-[(7-acetylazaniumylidene-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(7-acetyliminio-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methylthio]benzoate Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)CSC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)CSC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C19H19NO5S/c1-11(21)20-13-6-7-14-12(8-18(22)25-16(14)9-13)10-26-17-5-3-2-4-15(17)19(23)24/h2-5,8,16,22H,6-7,9-10H2,1H3,(H,23,24)