ethyl 4-cyano-3-methyl-5-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[(3-benzyloxybenzoyl)carbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[[oxo-(3-phenylmethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(3-phenylmethoxybenzoyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 5-[(3-benzoxybenzoyl)thiocarbamoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C24H21N3O4S2 MolecularWeight: 479.57124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C24H21N3O4S2/c1-3-30-23(29)20-15(2)19(13-25)22(33-20)27-24(32)26-21(28)17-10-7-11-18(12-17)31-14-16-8-5-4-6-9-16/h4-12H,3,14H2,1-2H3,(H2,26,27,28,32)