[(E)-[7-(furan-2-yl)-2-methyl-2,3-dihydrochromen-4-ylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-[7-(furan-2-yl)-2-methyl-2,3-dihydrochromen-4-ylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(E)-[7-(2-furyl)-2-methyl-chroman-4-ylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-[7-(2-furanyl)-2-methyl-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino] ester IUPAC Name: [(E)-[7-(furan-2-yl)-2-methyl-2,3-dihydrochromen-4-ylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-[7-(2-furyl)-2-methyl-chroman-4-ylidene]amino] ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=NOS(=O)(=O)C2=CC=C(C=C2)C)C3=C(O1)C=C(C=C3)C4=CC=CO4

Isomeric SMILES

CC1C/C(=N\OS(=O)(=O)C2=CC=C(C=C2)C)/C3=C(O1)C=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C21H19NO5S/c1-14-5-8-17(9-6-14)28(23,24)27-22-19-12-15(2)26-21-13-16(7-10-18(19)21)20-4-3-11-25-20/h3-11,13,15H,12H2,1-2H3/b22-19+