(4-nitrophenyl) 3-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoate

Systemtic Name: (4-nitrophenyl) 3-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoate Openeye Name: (4-nitrophenyl) 3-methyl-2-[[methyl-[(2-methylthiazol-4-yl)methyl]carbamoyl]amino]butanoate CAS Name: 3-methyl-2-[[[methyl-[(2-methyl-4-thiazolyl)methyl]amino]-oxomethyl]amino]butanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoate Traditional Name: 3-methyl-2-[[methyl-[(2-methylthiazol-4-yl)methyl]carbamoyl]amino]butyric acid (4-nitrophenyl) ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5S/c1-11(2)16(17(23)27-15-7-5-14(6-8-15)22(25)26)20-18(24)21(4)9-13-10-28-12(3)19-13/h5-8,10-11,16H,9H2,1-4H3,(H,20,24)