ethyl (4S)-4-methyl-2-oxidanylidene-6-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-methyl-2-oxidanylidene-6-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[2-(benzylamino)-2-oxo-ethyl]sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-methyl-2-oxo-6-[[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[2-(benzylamino)-2-oxoethyl]sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[[2-(benzylamino)-2-keto-ethyl]thio]methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CSCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O4S/c1-3-25-17(23)16-12(2)20-18(24)21-14(16)10-26-11-15(22)19-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,19,22)(H2,20,21,24)/t12-/m0/s1