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

Systemtic Name: ethyl 5-ethyl-2-(phenylcarbamothioylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxylate Openeye Name: ethyl 5-ethyl-2-(phenylcarbamothioylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-(phenylcarbamothioylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxylate Traditional Name: 5-ethyl-2-(phenylthiocarbamoylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxylic acid ethyl ester Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)C(=C(S2)NC(=S)NC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1CCC2=C(C1)C(=C(S2)NC(=S)NC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C19H23N3O2S2/c1-3-22-11-10-15-14(12-22)16(18(23)24-4-2)17(26-15)21-19(25)20-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H2,20,21,25)