[6-methyl-8-oxidanylidene-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-methyl-8-oxidanylidene-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl] 4-methylbenzenesulfonate Openeye Name: (2-methyl-4-oxo-8-thiazol-2-yl-tetralin-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-methyl-8-oxo-4-(2-thiazolyl)-6,7-dihydro-5H-naphthalen-1-yl] ester IUPAC Name: [6-methyl-8-oxo-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-keto-2-methyl-8-thiazol-2-yl-tetralin-5-yl) ester Formula: C21H19NO4S2 MolecularWeight: 413.50986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=CC(=C2C(=O)C1)OS(=O)(=O)C3=CC=C(C=C3)C)C4=NC=CS4

Isomeric SMILES

CC1CC2=C(C=CC(=C2C(=O)C1)OS(=O)(=O)C3=CC=C(C=C3)C)C4=NC=CS4

InChI

InChI=1S/C21H19NO4S2/c1-13-3-5-15(6-4-13)28(24,25)26-19-8-7-16(21-22-9-10-27-21)17-11-14(2)12-18(23)20(17)19/h3-10,14H,11-12H2,1-2H3