2-methylpropyl 3-ethyl-4-methyl-6-[4-[3-(4-nitrophenyl)prop-2-enoylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 3-ethyl-4-methyl-6-[4-[3-(4-nitrophenyl)prop-2-enoylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3-ethyl-4-methyl-6-[4-[3-(4-nitrophenyl)prop-2-enoylamino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[4-[[3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-ethyl-4-methyl-6-[4-[3-(4-nitrophenyl)prop-2-enoylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[4-[[3-(4-nitrophenyl)acryloyl]amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C27H30N4O5S MolecularWeight: 522.6159

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC(C)C)C

InChI

InChI=1S/C27H30N4O5S/c1-5-30-18(4)24(26(33)36-16-17(2)3)25(29-27(30)37)20-9-11-21(12-10-20)28-23(32)15-8-19-6-13-22(14-7-19)31(34)35/h6-15,17,25H,5,16H2,1-4H3,(H,28,32)(H,29,37)