ethyl 3-[[2-[1-(4-methoxyphenyl)cyclopropyl]carbonylpyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-[1-(4-methoxyphenyl)cyclopropyl]carbonylpyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[[1-(4-methoxyphenyl)cyclopropyl]-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H27N3O4S/c1-3-27-17(24)9-12-21-19(28)23-14-4-13-22(23)18(25)20(10-11-20)15-5-7-16(26-2)8-6-15/h5-8H,3-4,9-14H2,1-2H3,(H,21,28)