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

Systemtic Name: methyl 3-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H17N3O5S/c1-11(17-20-15-6-4-5-7-16(15)28-17)21(2)18(23)12-8-13(19(24)27-3)10-14(9-12)22(25)26/h4-11H,1-3H3