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

Systemtic Name: ethyl 6-(phenylmethyl)-2-(prop-2-enylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 2-(allylcarbamothioylamino)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-(phenylmethyl)-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-2-(prop-2-enylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(allylthiocarbamoylamino)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S2/c1-3-11-22-21(27)23-19-18(20(25)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,(H2,22,23,27)