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

Systemtic Name: [6-methyl-8-oxidanylidene-4-(1,3-thiazol-2-yl)-6,7-dihydro-5H-naphthalen-1-yl] thiophene-2-sulfonate Openeye Name: (2-methyl-4-oxo-8-thiazol-2-yl-tetralin-5-yl) thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic 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] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid (4-keto-2-methyl-8-thiazol-2-yl-tetralin-5-yl) ester Formula: C18H15NO4S3 MolecularWeight: 405.511

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=CC(=C2C(=O)C1)OS(=O)(=O)C3=CC=CS3)C4=NC=CS4

Isomeric SMILES

CC1CC2=C(C=CC(=C2C(=O)C1)OS(=O)(=O)C3=CC=CS3)C4=NC=CS4

InChI

InChI=1S/C18H15NO4S3/c1-11-9-13-12(18-19-6-8-25-18)4-5-15(17(13)14(20)10-11)23-26(21,22)16-3-2-7-24-16/h2-8,11H,9-10H2,1H3