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

Systemtic Name: ethyl 5-ethyl-5-methyl-2-[(phenylmethyl)carbamothioylamino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 2-(benzylcarbamothioylamino)-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 5-ethyl-5-methyl-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylcarbamothioylamino)-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 2-(benzylthiocarbamoylamino)-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=C(CO1)SC(=C2C(=O)OCC)NC(=S)NCC3=CC=CC=C3)C

Isomeric SMILES

CCC1(CC2=C(CO1)SC(=C2C(=O)OCC)NC(=S)NCC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O3S2/c1-4-21(3)11-15-16(13-26-21)28-18(17(15)19(24)25-5-2)23-20(27)22-12-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3,(H2,22,23,27)