[5-(2-dimethylaminoethylsulfanyl)-3-ethynyl-2-nitro-phenyl]carbamic acid

Systemtic Name: [5-(2-dimethylaminoethylsulfanyl)-3-ethynyl-2-nitro-phenyl]carbamic acid Openeye Name: [5-(2-dimethylaminoethylsulfanyl)-3-ethynyl-2-nitro-phenyl]carbamic acid CAS Name: [5-(2-dimethylaminoethylthio)-3-ethynyl-2-nitrophenyl]carbamic acid IUPAC Name: [5-(2-dimethylaminoethylsulfanyl)-3-ethynyl-2-nitrophenyl]carbamic acid Traditional Name: [5-(2-dimethylaminoethylthio)-3-ethynyl-2-nitro-phenyl]carbamic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CC(=C(C(=C1)C#C)[N+](=O)[O-])NC(=O)O

Isomeric SMILES

CN(C)CCSC1=CC(=C(C(=C1)C#C)[N+](=O)[O-])NC(=O)O

InChI

InChI=1S/C13H15N3O4S/c1-4-9-7-10(21-6-5-15(2)3)8-11(14-13(17)18)12(9)16(19)20/h1,7-8,14H,5-6H2,2-3H3,(H,17,18)