N-ethoxycarbothioyloxy-2-[(4-ethylsulfonyl-2,6-dinitro-phenyl)amino]-N-methyl-propanamide

Systemtic Name: N-ethoxycarbothioyloxy-2-[(4-ethylsulfonyl-2,6-dinitro-phenyl)amino]-N-methyl-propanamide Openeye Name: N-ethoxycarbothioyloxy-2-(4-ethylsulfonyl-2,6-dinitro-anilino)-N-methyl-propanamide CAS Name: N-[ethoxy(sulfanylidene)methoxy]-2-(4-ethylsulfonyl-2,6-dinitroanilino)-N-methylpropanamide IUPAC Name: N-ethoxycarbothioyloxy-2-(4-ethylsulfonyl-2,6-dinitroanilino)-N-methylpropanamide Traditional Name: 2-(4-esyl-2,6-dinitro-anilino)-N-ethoxycarbothioyloxy-N-methyl-propionamide Formula: C15H20N4O9S2 MolecularWeight: 464.4707

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)ON(C)C(=O)C(C)NC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)CC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=S)ON(C)C(=O)C(C)NC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)CC)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O9S2/c1-5-27-15(29)28-17(4)14(20)9(3)16-13-11(18(21)22)7-10(30(25,26)6-2)8-12(13)19(23)24/h7-9,16H,5-6H2,1-4H3