ethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonylcarbamothioylamino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonylcarbamothioylamino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-benzyl-2-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]carbamothioylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]carbamothioylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-benzyl-2-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]thiocarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C29H27ClN4O4S2 MolecularWeight: 595.13208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=S)NC(=O)C4=C(ON=C4C5=CC=CC=C5Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=S)NC(=O)C4=C(ON=C4C5=CC=CC=C5Cl)C

InChI

InChI=1S/C29H27ClN4O4S2/c1-3-37-28(36)24-20-13-14-34(15-18-9-5-4-6-10-18)16-22(20)40-27(24)32-29(39)31-26(35)23-17(2)38-33-25(23)19-11-7-8-12-21(19)30/h4-12H,3,13-16H2,1-2H3,(H2,31,32,35,39)