ethyl 6-methyl-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H25N3O4S2 MolecularWeight: 483.603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C

InChI

InChI=1S/C24H25N3O4S2/c1-4-30-23(29)19-16-11-10-13(2)12-17(16)33-22(19)26-24(32)25-21(28)18-14(3)31-27-20(18)15-8-6-5-7-9-15/h5-9,13H,4,10-12H2,1-3H3,(H2,25,26,28,32)