(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butyric acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C20H18ClN3O5S2 MolecularWeight: 479.95702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CSC(=N1)C2=CSC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CSC(=N1)C2=CSC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN3O5S2/c1-11(2)17(23-18(25)12-3-4-15(21)16(7-12)24(27)28)20(26)29-8-14-10-31-19(22-14)13-5-6-30-9-13/h3-7,9-11,17H,8H2,1-2H3,(H,23,25)/t17-/m0/s1