methyl 5-methyl-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[3-(2-oxo-1-pyrrolidinyl)propylamino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-(2-ketopyrrolidino)propylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NCCCN2CCCC2=O)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCCCN2CCCC2=O)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S2/c1-14-17(15-8-4-3-5-9-15)18(20(26)27-2)19(29-14)23-21(28)22-11-7-13-24-12-6-10-16(24)25/h3-5,8-9H,6-7,10-13H2,1-2H3,(H2,22,23,28)