methyl 3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-indan-5-ylthiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(2,3-dihydro-1H-inden-5-yl)-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-indan-5-ylthiazol-2-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H17N3O5S MolecularWeight: 423.44178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S/c1-29-20(26)16-8-15(9-17(10-16)24(27)28)19(25)23-21-22-18(11-30-21)14-6-5-12-3-2-4-13(12)7-14/h5-11H,2-4H2,1H3,(H,22,23,25)