ethyl 4-azanyl-2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(1S)-2-indolin-1-yl-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(1S)-2-indolin-1-yl-2-keto-1-methyl-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)N2CCC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)S[C@@H](C)C(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C18H20N4O3S/c1-3-25-17(24)13-10-20-18(21-15(13)19)26-11(2)16(23)22-9-8-12-6-4-5-7-14(12)22/h4-7,10-11H,3,8-9H2,1-2H3,(H2,19,20,21)/t11-/m0/s1