ethyl 3-[(3-azanyl-5-chloranyl-thiophen-2-yl)sulfonylcarbamothioylamino]butanoate

Systemtic Name: ethyl 3-[(3-azanyl-5-chloranyl-thiophen-2-yl)sulfonylcarbamothioylamino]butanoate Openeye Name: ethyl 3-[(3-amino-5-chloro-2-thienyl)sulfonylcarbamothioylamino]butanoate CAS Name: 3-[[[(3-amino-5-chloro-2-thiophenyl)sulfonylamino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[(3-amino-5-chlorothiophen-2-yl)sulfonylcarbamothioylamino]butanoate Traditional Name: 3-[(3-amino-5-chloro-2-thienyl)sulfonylthiocarbamoylamino]butyric acid ethyl ester Formula: C11H16ClN3O4S3 MolecularWeight: 385.91044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=S)NS(=O)(=O)C1=C(C=C(S1)Cl)N

Isomeric SMILES

CCOC(=O)CC(C)NC(=S)NS(=O)(=O)C1=C(C=C(S1)Cl)N

InChI

InChI=1S/C11H16ClN3O4S3/c1-3-19-9(16)4-6(2)14-11(20)15-22(17,18)10-7(13)5-8(12)21-10/h5-6H,3-4,13H2,1-2H3,(H2,14,15,20)