ethyl 4-[3-methoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 4-[3-methoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-[4-[2-(benzylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-[3-methoxy-4-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-[4-[2-(benzylamino)-2-keto-ethoxy]-3-methoxy-phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC(=C(C=C2)OCC(=O)NCC3=CC=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC(=C(C=C2)OCC(=O)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C24H27N3O5S/c1-4-31-23(29)21-15(2)26-24(33)27-22(21)17-10-11-18(19(12-17)30-3)32-14-20(28)25-13-16-8-6-5-7-9-16/h5-12,21-22H,2,4,13-14H2,1,3H3,(H,25,28)(H2,26,27,33)