ethyl 7-ethyl-7-methyl-3-(phenylcarbonylcarbamothioyl)-5,8-dihydro-1H-pyrano[3,4-b][1,4]thiazine-2-carboxylate

Systemtic Name: ethyl 7-ethyl-7-methyl-3-(phenylcarbonylcarbamothioyl)-5,8-dihydro-1H-pyrano[3,4-b][1,4]thiazine-2-carboxylate Openeye Name: ethyl 3-(benzoylcarbamothioyl)-7-ethyl-7-methyl-5,8-dihydro-1H-pyrano[3,4-b][1,4]thiazine-2-carboxylate CAS Name: 3-[benzamido(sulfanylidene)methyl]-7-ethyl-7-methyl-5,8-dihydro-1H-pyrano[3,4-b][1,4]thiazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzoylcarbamothioyl)-7-ethyl-7-methyl-5,8-dihydro-1H-pyrano[3,4-b][1,4]thiazine-2-carboxylate Traditional Name: 3-(benzoylthiocarbamoyl)-7-ethyl-7-methyl-5,8-dihydro-1H-pyrano[3,4-b][1,4]thiazine-2-carboxylic acid ethyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=C(CO1)SC(=C(N2)C(=O)OCC)C(=S)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCC1(CC2=C(CO1)SC(=C(N2)C(=O)OCC)C(=S)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H24N2O4S2/c1-4-21(3)11-14-15(12-27-21)29-17(16(22-14)20(25)26-5-2)19(28)23-18(24)13-9-7-6-8-10-13/h6-10,22H,4-5,11-12H2,1-3H3,(H,23,24,28)