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

Systemtic Name: methyl 2-[[1-(2-acetamidoethyl)cyclopentyl]carbothioylamino]-3-(4-nitrophenyl)propanoate Openeye Name: methyl 2-[[1-(2-acetamidoethyl)cyclopentanecarbothioyl]amino]-3-(4-nitrophenyl)propanoate CAS Name: 2-[[[1-(2-acetamidoethyl)cyclopentyl]-sulfanylidenemethyl]amino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[1-(2-acetamidoethyl)cyclopentanecarbothioyl]amino]-3-(4-nitrophenyl)propanoate Traditional Name: 2-[[1-(2-acetamidoethyl)cyclopentanecarbothioyl]amino]-3-(4-nitrophenyl)propionic acid methyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1(CCCC1)C(=S)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)NCCC1(CCCC1)C(=S)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H27N3O5S/c1-14(24)21-12-11-20(9-3-4-10-20)19(29)22-17(18(25)28-2)13-15-5-7-16(8-6-15)23(26)27/h5-8,17H,3-4,9-13H2,1-2H3,(H,21,24)(H,22,29)