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

Systemtic Name: ethyl 4-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]naphthalen-1-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-[2-(azepan-1-yl)-2-oxo-ethoxy]-1-naphthyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[2-[2-(1-azepanyl)-2-oxoethoxy]-1-naphthalenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(azepan-1-yl)-2-oxoethoxy]naphthalen-1-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[2-[2-(azepan-1-yl)-2-keto-ethoxy]-1-naphthyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC3=CC=CC=C32)OCC(=O)N4CCCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC3=CC=CC=C32)OCC(=O)N4CCCCCC4)C

InChI

InChI=1S/C26H31N3O4S/c1-3-32-25(31)22-17(2)27-26(34)28-24(22)23-19-11-7-6-10-18(19)12-13-20(23)33-16-21(30)29-14-8-4-5-9-15-29/h6-7,10-13,24H,3-5,8-9,14-16H2,1-2H3,(H2,27,28,34)