dimethyl 3-methyl-5-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3)C(=O)OC

InChI

InChI=1S/C21H23N3O5S2/c1-12-15(19(26)28-2)17(31-16(12)20(27)29-3)23-21(30)22-14-8-6-13(7-9-14)18(25)24-10-4-5-11-24/h6-9H,4-5,10-11H2,1-3H3,(H2,22,23,30)