methyl 3-chloranyl-6-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[3-(2-oxo-1-pyrrolidinyl)propylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[3-(2-oxopyrrolidin-1-yl)propylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[3-(2-ketopyrrolidino)propylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H20ClN3O3S2 MolecularWeight: 425.9527

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCCCN3CCCC3=O)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCCCN3CCCC3=O)Cl

InChI

InChI=1S/C18H20ClN3O3S2/c1-25-17(24)16-15(19)12-6-5-11(10-13(12)27-16)21-18(26)20-7-3-9-22-8-2-4-14(22)23/h5-6,10H,2-4,7-9H2,1H3,(H2,20,21,26)