methyl (2R)-4-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(2-chloro-5-nitro-phenyl)carbamothioyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(2-chloro-5-nitrophenyl)carbamothioyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(2-chloro-5-nitro-phenyl)thiocarbamoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C13H14ClN3O4S2 MolecularWeight: 375.85096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H14ClN3O4S2/c1-21-12(18)11-7-16(4-5-23-11)13(22)15-10-6-8(17(19)20)2-3-9(10)14/h2-3,6,11H,4-5,7H2,1H3,(H,15,22)/t11-/m1/s1