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

Systemtic Name: ethyl 5,5-dimethyl-2-(phenethylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 5,5-dimethyl-2-(phenethylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 5,5-dimethyl-2-[[(phenethylamino)-sulfanylidenemethyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5,5-dimethyl-2-(phenethylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 5,5-dimethyl-2-(phenethylthiocarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c1-4-25-19(24)17-15-12-21(2,3)26-13-16(15)28-18(17)23-20(27)22-11-10-14-8-6-5-7-9-14/h5-9H,4,10-13H2,1-3H3,(H2,22,23,27)