ethyl 5-ethyl-5-methyl-2-(phenylcarbonylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

Systemtic Name: ethyl 5-ethyl-5-methyl-2-(phenylcarbonylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 2-(benzoylcarbamothioylamino)-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzoylcarbamothioylamino)-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=C(CO1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCC1(CC2=C(CO1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=CC=CC=C3)C

InChI

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