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

Systemtic Name: ethyl 5-ethyl-5-methyl-2-(phenylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 5-ethyl-5-methyl-2-(phenylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-5-methyl-2-(phenylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 5-ethyl-5-methyl-2-(phenylthiocarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=C(CO1)SC(=C2C(=O)OCC)NC(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CCC1(CC2=C(CO1)SC(=C2C(=O)OCC)NC(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C20H24N2O3S2/c1-4-20(3)11-14-15(12-25-20)27-17(16(14)18(23)24-5-2)22-19(26)21-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3,(H2,21,22,26)