O-ethyl 6-(phenylmethyl)-2-(prop-2-enylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbothioate

Systemtic Name: O-ethyl 6-(phenylmethyl)-2-(prop-2-enylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbothioate Openeye Name: O-ethyl 2-(allylcarbamoylamino)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbothioate CAS Name: 2-[[oxo-(prop-2-enylamino)methyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbothioic acid O-ethyl ester IUPAC Name: O-ethyl 6-benzyl-2-(prop-2-enylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbothioate Traditional Name: 2-(allylcarbamoylamino)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbothioic acid O-ethyl ester Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)NCC=C

Isomeric SMILES

CCOC(=S)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)NCC=C

InChI

InChI=1S/C21H25N3O2S2/c1-3-11-22-21(25)23-19-18(20(27)26-4-2)16-10-12-24(14-17(16)28-19)13-15-8-6-5-7-9-15/h3,5-9H,1,4,10-14H2,2H3,(H2,22,23,25)