O3-ethyl O5-prop-2-enyl 2-[(carbamothioylamino)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-prop-2-enyl 2-[(carbamothioylamino)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-allyl O3-ethyl 2-[(carbamothioylamino)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(carbamothioylamino)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-prop-2-enyl ester IUPAC Name: 3-O-ethyl 5-O-prop-2-enyl 2-[(carbamothioylamino)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-(3-nitrophenyl)-6-(thioureidomethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-allyl ester O5-ethyl ester Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O6S/c1-4-9-31-19(26)16-12(3)24-15(11-23-21(22)32)18(20(27)30-5-2)17(16)13-7-6-8-14(10-13)25(28)29/h4,6-8,10,17,24H,1,5,9,11H2,2-3H3,(H3,22,23,32)