ethyl 2-[(carbamothioylamino)methyl]-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 2-[(carbamothioylamino)methyl]-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-[(carbamothioylamino)methyl]-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2-[(carbamothioylamino)methyl]-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(carbamothioylamino)methyl]-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-methyl-5-nitro-4-(3-nitrophenyl)-2-(thioureidomethyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C17H19N5O6S MolecularWeight: 421.42766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-])C)CNC(=S)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-])C)CNC(=S)N

InChI

InChI=1S/C17H19N5O6S/c1-3-28-16(23)14-12(8-19-17(18)29)20-9(2)15(22(26)27)13(14)10-5-4-6-11(7-10)21(24)25/h4-7,13,20H,3,8H2,1-2H3,(H3,18,19,29)