ethyl 2-[(7-chloranylthieno[2,3-f][1,3]benzodioxol-6-yl)carbonylcarbamothioylamino]ethanoate

Systemtic Name: ethyl 2-[(7-chloranylthieno[2,3-f][1,3]benzodioxol-6-yl)carbonylcarbamothioylamino]ethanoate Openeye Name: ethyl 2-[(7-chlorothieno[2,3-f][1,3]benzodioxole-6-carbonyl)carbamothioylamino]acetate CAS Name: 2-[[[[(7-chloro-6-thieno[2,3-f][1,3]benzodioxolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(7-chlorothieno[2,3-f][1,3]benzodioxole-6-carbonyl)carbamothioylamino]acetate Traditional Name: 2-[(7-chlorothieno[2,3-f][1,3]benzodioxole-6-carbonyl)thiocarbamoylamino]acetic acid ethyl ester Formula: C15H13ClN2O5S2 MolecularWeight: 400.85712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)NC(=O)C1=C(C2=CC3=C(C=C2S1)OCO3)Cl

Isomeric SMILES

CCOC(=O)CNC(=S)NC(=O)C1=C(C2=CC3=C(C=C2S1)OCO3)Cl

InChI

InChI=1S/C15H13ClN2O5S2/c1-2-21-11(19)5-17-15(24)18-14(20)13-12(16)7-3-8-9(23-6-22-8)4-10(7)25-13/h3-4H,2,5-6H2,1H3,(H2,17,18,20,24)