2-methoxyethyl 3,4-dimethyl-6-[3-[3-(4-nitrophenyl)prop-2-enoylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 3,4-dimethyl-6-[3-[3-(4-nitrophenyl)prop-2-enoylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 3,4-dimethyl-6-[3-[3-(4-nitrophenyl)prop-2-enoylamino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[3-[[3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3,4-dimethyl-6-[3-[3-(4-nitrophenyl)prop-2-enoylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[3-[[3-(4-nitrophenyl)acryloyl]amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C25H26N4O6S MolecularWeight: 510.56214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C25H26N4O6S/c1-16-22(24(31)35-14-13-34-3)23(27-25(36)28(16)2)18-5-4-6-19(15-18)26-21(30)12-9-17-7-10-20(11-8-17)29(32)33/h4-12,15,23H,13-14H2,1-3H3,(H,26,30)(H,27,36)