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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)OC

InChI

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