(2-acetamido-1,3-thiazol-4-yl)methyl 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(2-chlorobenzyl)amino]-5-nitro-benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C20H17ClN4O5S MolecularWeight: 460.89078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H17ClN4O5S/c1-12(26)23-20-24-14(11-31-20)10-30-19(27)16-8-15(25(28)29)6-7-18(16)22-9-13-4-2-3-5-17(13)21/h2-8,11,22H,9-10H2,1H3,(H,23,24,26)