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

Systemtic Name: methyl 2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H19ClN2O4S2 MolecularWeight: 414.92676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC(=C(C=C2OC)Cl)OC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC(=C(C=C2OC)Cl)OC)C(=O)OC

InChI

InChI=1S/C17H19ClN2O4S2/c1-5-9-6-10(16(21)24-4)15(26-9)20-17(25)19-12-8-13(22-2)11(18)7-14(12)23-3/h6-8H,5H2,1-4H3,(H2,19,20,25)