5-[[3,4-bis(oxidanyl)phenyl]methyl]-2-(cycloheptylamino)-1,3-thiazol-4-one

Systemtic Name: 5-[[3,4-bis(oxidanyl)phenyl]methyl]-2-(cycloheptylamino)-1,3-thiazol-4-one Openeye Name: 2-(cycloheptylamino)-5-[(3,4-dihydroxyphenyl)methyl]thiazol-4-one CAS Name: 2-(cycloheptylamino)-5-[(3,4-dihydroxyphenyl)methyl]-4-thiazolone IUPAC Name: 2-(cycloheptylamino)-5-[(3,4-dihydroxyphenyl)methyl]-1,3-thiazol-4-one Traditional Name: 2-(cycloheptylamino)-5-protocatechuyl-2-thiazolin-4-one Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC(=O)C(S2)CC3=CC(=C(C=C3)O)O

Isomeric SMILES

C1CCCC(CC1)NC2=NC(=O)C(S2)CC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C17H22N2O3S/c20-13-8-7-11(9-14(13)21)10-15-16(22)19-17(23-15)18-12-5-3-1-2-4-6-12/h7-9,12,15,20-21H,1-6,10H2,(H,18,19,22)