ethyl 3-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[1-(1,3-benzothiazol-2-yl)ethyl-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)C(C)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)C(C)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c1-4-28-20(25)14-9-13(10-15(11-14)23(26)27)19(24)22(3)12(2)18-21-16-7-5-6-8-17(16)29-18/h5-12H,4H2,1-3H3