methyl 2-[[1-(2-methoxyethyl)cyclopentyl]carbothioylamino]-3-(4-nitrophenyl)propanoate

Systemtic Name: methyl 2-[[1-(2-methoxyethyl)cyclopentyl]carbothioylamino]-3-(4-nitrophenyl)propanoate Openeye Name: methyl 2-[[1-(2-methoxyethyl)cyclopentanecarbothioyl]amino]-3-(4-nitrophenyl)propanoate CAS Name: 2-[[[1-(2-methoxyethyl)cyclopentyl]-sulfanylidenemethyl]amino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[1-(2-methoxyethyl)cyclopentanecarbothioyl]amino]-3-(4-nitrophenyl)propanoate Traditional Name: 2-[[1-(2-methoxyethyl)cyclopentanecarbothioyl]amino]-3-(4-nitrophenyl)propionic acid methyl ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1(CCCC1)C(=S)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COCCC1(CCCC1)C(=S)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H26N2O5S/c1-25-12-11-19(9-3-4-10-19)18(27)20-16(17(22)26-2)13-14-5-7-15(8-6-14)21(23)24/h5-8,16H,3-4,9-13H2,1-2H3,(H,20,27)