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

Systemtic Name: ethyl 2-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-chloro-2-methoxy-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-methoxyphenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2-methoxy-phenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21ClN2O3S2 MolecularWeight: 460.99674

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O3S2/c1-4-28-21(26)19-18(14-8-6-5-7-9-14)13(2)30-20(19)25-22(29)24-16-12-15(23)10-11-17(16)27-3/h5-12H,4H2,1-3H3,(H2,24,25,29)