methyl 5-ethyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3)C(=O)OC

InChI

InChI=1S/C20H23N3O3S2/c1-3-15-12-16(19(25)26-2)17(28-15)22-20(27)21-14-8-6-13(7-9-14)18(24)23-10-4-5-11-23/h6-9,12H,3-5,10-11H2,1-2H3,(H2,21,22,27)