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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S2/c1-4-26-20(25)17-14-10-15(12(2)3)27-11-16(14)29-19(17)23-21(28)22-18(24)13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3,(H2,22,23,24,28)