[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 4-chloro-3-morpholinosulfonyl-benzoate CAS Name: 4-chloro-3-(4-morpholinylsulfonyl)benzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-chloro-3-morpholinosulfonyl-benzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C16H15ClN4O8S2 MolecularWeight: 490.8953

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN4O8S2/c17-11-2-1-10(7-12(11)31(26,27)20-3-5-28-6-4-20)15(23)29-9-13(22)19-16-18-8-14(30-16)21(24)25/h1-2,7-8H,3-6,9H2,(H,18,19,22)