ethyl 2-[(phenylmethyl)carbamothioylamino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate

Systemtic Name: ethyl 2-[(phenylmethyl)carbamothioylamino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 2-(benzylcarbamothioylamino)-5-isopropyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate CAS Name: 2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate Traditional Name: 2-(benzylthiocarbamoylamino)-5-isopropyl-5,7-dihydro-4H-thieno[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)C)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(OC2)C(C)C)NC(=S)NCC3=CC=CC=C3

InChI

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