[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=NC=CN=C1C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=NC=CN=C1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N4O3S/c1-3-11(2)21-14(23)10-25-18(24)16-15(19-8-9-20-16)17-22-12-6-4-5-7-13(12)26-17/h4-9,11H,3,10H2,1-2H3,(H,21,23)/t11-/m0/s1