ethyl 3-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)CC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)CC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-3-26-17(23)12-7-11(8-13(9-12)21(24)25)16(22)20-18-19-14-5-4-10(2)6-15(14)27-18/h7-10H,3-6H2,1-2H3,(H,19,20,22)