ethyl 3-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-(1H-indol-3-yl)thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(1H-indol-3-yl)-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(1H-indol-3-yl)thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H16N4O5S MolecularWeight: 436.44054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CNC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CNC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5S/c1-2-30-20(27)13-7-12(8-14(9-13)25(28)29)19(26)24-21-23-18(11-31-21)16-10-22-17-6-4-3-5-15(16)17/h3-11,22H,2H2,1H3,(H,23,24,26)