ethyl 4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[2-(azepan-1-yl)-2-oxo-ethoxy]-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-[2-(1-azepanyl)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(azepan-1-yl)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-[2-(azepan-1-yl)-2-keto-ethoxy]-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OCC(=O)N3CCCCCC3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OCC(=O)N3CCCCCC3)OC)C

InChI

InChI=1S/C23H31N3O5S/c1-4-30-22(28)20-15(2)24-23(32)25-21(20)16-9-10-17(18(13-16)29-3)31-14-19(27)26-11-7-5-6-8-12-26/h9-10,13,21H,4-8,11-12,14H2,1-3H3,(H2,24,25,32)