ethyl 2-[[2,3-bis(chloranyl)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2,3-bis(chloranyl)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2,3-dichlorophenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2,3-dichloroanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,3-dichlorophenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2,3-dichlorophenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H18Cl2N2O2S2 MolecularWeight: 465.41582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O2S2/c1-3-27-20(26)17-16(13-8-5-4-6-9-13)12(2)29-19(17)25-21(28)24-15-11-7-10-14(22)18(15)23/h4-11H,3H2,1-2H3,(H2,24,25,28)