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

Systemtic Name: [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: [2-[[(1S)-1-(1-naphthyl)ethyl]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-[[(1S)-1-(1-naphthalenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-naphthalen-1-ylethyl]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-(1-naphthyl)ethyl]amino]ethyl] ester Formula: C26H20N4O3S MolecularWeight: 468.527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C[C@@H](C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H20N4O3S/c1-16(18-10-6-8-17-7-2-3-9-19(17)18)29-22(31)15-33-26(32)24-23(27-13-14-28-24)25-30-20-11-4-5-12-21(20)34-25/h2-14,16H,15H2,1H3,(H,29,31)/t16-/m0/s1