propan-2-yl 3-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[[2-[(5-chloro-2-thienyl)methylthio]acetyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C19H21ClN2O5S2 MolecularWeight: 456.96344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CSCC2=CC=C(S2)Cl

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CSCC2=CC=C(S2)Cl

InChI

InChI=1S/C19H21ClN2O5S2/c1-12(2)27-19(24)9-15(14-5-3-4-6-16(14)22(25)26)21-18(23)11-28-10-13-7-8-17(20)29-13/h3-8,12,15H,9-11H2,1-2H3,(H,21,23)