[2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-[[4-(1H-indol-3-yl)thiazol-2-yl]amino]-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-[[4-(1H-indol-3-yl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-[[4-(1H-indol-3-yl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C20H13ClN4O5S MolecularWeight: 456.85902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)NC(=O)COC(=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)NC(=O)COC(=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H13ClN4O5S/c21-11-5-6-13(17(7-11)25(28)29)19(27)30-9-18(26)24-20-23-16(10-31-20)14-8-22-15-4-2-1-3-12(14)15/h1-8,10,22H,9H2,(H,23,24,26)