ethyl 3-methyl-5-[(4-phenoxyphenyl)carbamothioylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[(4-phenoxyphenyl)carbamothioylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[(4-phenoxyphenyl)carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[(4-phenoxyanilino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(4-phenoxyphenyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[(4-phenoxyphenyl)thiocarbamoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C21H20N2O3S2/c1-3-25-20(24)19-14(2)13-18(28-19)23-21(27)22-15-9-11-17(12-10-15)26-16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H2,22,23,27)