[2-(diethylamino)-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NC(=CS2)C

Isomeric SMILES

CCN(CC)C(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NC(=CS2)C

InChI

InChI=1S/C17H19N3O5S2/c1-4-19(5-2)15(21)9-25-16(22)13-8-12(20(23)24)6-7-14(13)27-17-18-11(3)10-26-17/h6-8,10H,4-5,9H2,1-3H3