ethyl (4S)-4-ethyl-2-oxidanylidene-6-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N5O3S2 MolecularWeight: 419.52104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=NN=C(S2)NC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CSC2=NN=C(S2)NC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C18H21N5O3S2/c1-3-12-14(15(24)26-4-2)13(21-16(25)20-12)10-27-18-23-22-17(28-18)19-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,19,22)(H2,20,21,25)/t12-/m0/s1